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/111-b28e74ef/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-b28e74ef/inputs/seq.fa: 1 curr_seq: _AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/111-b28e74ef/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-b28e74ef/inputs/seq.fa: 1 curr_seq: _AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/111-b28e74ef/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-b28e74ef/inputs/seq.fa: 1 curr_seq: _AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/111-b28e74ef/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-b28e74ef/inputs/seq.fa: 1 curr_seq: _AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/111-b28e74ef/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-b28e74ef/inputs/seq.fa: 1 curr_seq: _AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/111-b28e74ef/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-b28e74ef/inputs/seq.fa: 1 curr_seq: _AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/111-b28e74ef/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-b28e74ef/inputs/seq.fa: 1 curr_seq: _AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/111-b28e74ef/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-b28e74ef/inputs/seq.fa: 1 curr_seq: _AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/111-b28e74ef/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-b28e74ef/inputs/seq.fa: 1 curr_seq: _AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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/111-b28e74ef/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/111-b28e74ef/inputs/seq.fa: 1 curr_seq: _AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGGACCAAGAACAAACACCACAUAGCCCAACCCGCCAUAGUCGCUCACCCCCAUCCUCCGCCUCCGGUUCCACCUCAGCAGAACCGGUUCGGUCCCGAUGGUCACCUA 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 109 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: 550 n_atoms_counter: 550 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 109.000000 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: -430.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.068679 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -430.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.068679 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 1 Temperature: 1.000000 Total energy: -430.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.068679 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 1 Temperature: 1.050000 Total energy: -430.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.068679 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -430.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.068679 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -430.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.068679 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -430.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.068679 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -430.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.068679 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -430.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.068679 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -430.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.068679 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -424.456532 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -80.031 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -48.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -585.522277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.522277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.522277 (E_RNA) where: Base-Base interactions energy: -253.897 where: short stacking energy: -253.795 Base-Backbone interact. energy: 0.028 local terms energy: -331.653552 where: bonds (distance) C4'-P energy: -66.666 bonds (distance) P-C4' energy: -73.637 flat angles C4'-P-C4' energy: -77.126 flat angles P-C4'-P energy: -49.338 tors. eta vs tors. theta energy: -64.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -540.593826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.593826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.593826 (E_RNA) where: Base-Base interactions energy: -231.243 where: short stacking energy: -230.030 Base-Backbone interact. energy: -0.144 local terms energy: -309.206804 where: bonds (distance) C4'-P energy: -76.113 bonds (distance) P-C4' energy: -68.762 flat angles C4'-P-C4' energy: -67.080 flat angles P-C4'-P energy: -42.561 tors. eta vs tors. theta energy: -54.691 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -504.136612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.136612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.136612 (E_RNA) where: Base-Base interactions energy: -218.146 where: short stacking energy: -211.549 Base-Backbone interact. energy: -0.387 local terms energy: -285.604192 where: bonds (distance) C4'-P energy: -46.747 bonds (distance) P-C4' energy: -78.914 flat angles C4'-P-C4' energy: -74.574 flat angles P-C4'-P energy: -37.364 tors. eta vs tors. theta energy: -48.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -459.357041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.357041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.357041 (E_RNA) where: Base-Base interactions energy: -170.188 where: short stacking energy: -162.931 Base-Backbone interact. energy: -0.458 local terms energy: -288.710412 where: bonds (distance) C4'-P energy: -68.315 bonds (distance) P-C4' energy: -80.632 flat angles C4'-P-C4' energy: -57.858 flat angles P-C4'-P energy: -45.460 tors. eta vs tors. theta energy: -36.444 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -433.557418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.557418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.557418 (E_RNA) where: Base-Base interactions energy: -15.789 where: short stacking energy: -15.789 Base-Backbone interact. energy: -0.000 local terms energy: -417.768021 where: bonds (distance) C4'-P energy: -104.113 bonds (distance) P-C4' energy: -94.139 flat angles C4'-P-C4' energy: -79.564 flat angles P-C4'-P energy: -90.829 tors. eta vs tors. theta energy: -49.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -429.940377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.940377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.940377 (E_RNA) where: Base-Base interactions energy: -6.112 where: short stacking energy: -6.112 Base-Backbone interact. energy: -0.000 local terms energy: -423.828222 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -98.405 flat angles C4'-P-C4' energy: -79.446 flat angles P-C4'-P energy: -91.472 tors. eta vs tors. theta energy: -48.720 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -429.977619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.977619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.977619 (E_RNA) where: Base-Base interactions energy: -6.112 where: short stacking energy: -6.112 Base-Backbone interact. energy: -0.000 local terms energy: -423.865464 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -98.405 flat angles C4'-P-C4' energy: -79.446 flat angles P-C4'-P energy: -91.509 tors. eta vs tors. theta energy: -48.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -445.854424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.854424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.854424 (E_RNA) where: Base-Base interactions energy: -62.082 where: short stacking energy: -62.082 Base-Backbone interact. energy: -0.000 local terms energy: -383.772252 where: bonds (distance) C4'-P energy: -83.659 bonds (distance) P-C4' energy: -82.612 flat angles C4'-P-C4' energy: -78.749 flat angles P-C4'-P energy: -86.124 tors. eta vs tors. theta energy: -52.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -429.968331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.968331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.968331 (E_RNA) where: Base-Base interactions energy: -6.103 where: short stacking energy: -6.103 Base-Backbone interact. energy: -0.000 local terms energy: -423.865464 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -98.405 flat angles C4'-P-C4' energy: -79.446 flat angles P-C4'-P energy: -91.509 tors. eta vs tors. theta energy: -48.720 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -429.968331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.968331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.968331 (E_RNA) where: Base-Base interactions energy: -6.103 where: short stacking energy: -6.103 Base-Backbone interact. energy: -0.000 local terms energy: -423.865464 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -98.405 flat angles C4'-P-C4' energy: -79.446 flat angles P-C4'-P energy: -91.509 tors. eta vs tors. theta energy: -48.720 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -595.550153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.550153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.550153 (E_RNA) where: Base-Base interactions energy: -287.831 where: short stacking energy: -241.003 Base-Backbone interact. energy: -0.849 local terms energy: -306.870874 where: bonds (distance) C4'-P energy: -67.989 bonds (distance) P-C4' energy: -68.991 flat angles C4'-P-C4' energy: -76.105 flat angles P-C4'-P energy: -43.245 tors. eta vs tors. theta energy: -50.542 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: 3 Temperature: 0.950000 Total energy: -555.336663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.336663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.336663 (E_RNA) where: Base-Base interactions energy: -263.185 where: short stacking energy: -204.099 Base-Backbone interact. energy: -0.884 local terms energy: -291.268088 where: bonds (distance) C4'-P energy: -70.094 bonds (distance) P-C4' energy: -70.370 flat angles C4'-P-C4' energy: -76.082 flat angles P-C4'-P energy: -40.846 tors. eta vs tors. theta energy: -33.876 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: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -535.174159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.174159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.174159 (E_RNA) where: Base-Base interactions energy: -253.522 where: short stacking energy: -210.835 Base-Backbone interact. energy: 1.198 local terms energy: -282.850663 where: bonds (distance) C4'-P energy: -56.772 bonds (distance) P-C4' energy: -72.680 flat angles C4'-P-C4' energy: -62.556 flat angles P-C4'-P energy: -38.785 tors. eta vs tors. theta energy: -52.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -496.987045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.987045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.987045 (E_RNA) where: Base-Base interactions energy: -235.823 where: short stacking energy: -182.085 Base-Backbone interact. energy: -0.827 local terms energy: -260.336738 where: bonds (distance) C4'-P energy: -60.249 bonds (distance) P-C4' energy: -66.491 flat angles C4'-P-C4' energy: -57.962 flat angles P-C4'-P energy: -43.584 tors. eta vs tors. theta energy: -32.051 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -483.653782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.653782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.653782 (E_RNA) where: Base-Base interactions energy: -207.132 where: short stacking energy: -154.859 Base-Backbone interact. energy: 1.257 local terms energy: -277.779644 where: bonds (distance) C4'-P energy: -69.655 bonds (distance) P-C4' energy: -68.505 flat angles C4'-P-C4' energy: -72.800 flat angles P-C4'-P energy: -42.643 tors. eta vs tors. theta energy: -24.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -400.210060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.210060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.210060 (E_RNA) where: Base-Base interactions energy: -173.299 where: short stacking energy: -150.924 Base-Backbone interact. energy: -0.482 local terms energy: -226.428567 where: bonds (distance) C4'-P energy: -53.117 bonds (distance) P-C4' energy: -64.101 flat angles C4'-P-C4' energy: -43.816 flat angles P-C4'-P energy: -39.811 tors. eta vs tors. theta energy: -25.585 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: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -377.430188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.430188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.430188 (E_RNA) where: Base-Base interactions energy: -141.946 where: short stacking energy: -126.050 Base-Backbone interact. energy: -1.069 local terms energy: -234.415140 where: bonds (distance) C4'-P energy: -65.755 bonds (distance) P-C4' energy: -57.582 flat angles C4'-P-C4' energy: -63.165 flat angles P-C4'-P energy: -39.944 tors. eta vs tors. theta energy: -7.969 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -351.681921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.681921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.681921 (E_RNA) where: Base-Base interactions energy: -124.910 where: short stacking energy: -118.397 Base-Backbone interact. energy: 0.685 local terms energy: -227.456852 where: bonds (distance) C4'-P energy: -61.786 bonds (distance) P-C4' energy: -59.431 flat angles C4'-P-C4' energy: -59.909 flat angles P-C4'-P energy: -35.903 tors. eta vs tors. theta energy: -10.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -329.211052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.211052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.211052 (E_RNA) where: Base-Base interactions energy: -135.898 where: short stacking energy: -109.039 Base-Backbone interact. energy: 0.681 local terms energy: -193.994390 where: bonds (distance) C4'-P energy: -45.058 bonds (distance) P-C4' energy: -68.381 flat angles C4'-P-C4' energy: -51.760 flat angles P-C4'-P energy: -30.799 tors. eta vs tors. theta energy: 2.005 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -289.838693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.838693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.838693 (E_RNA) where: Base-Base interactions energy: -104.441 where: short stacking energy: -91.585 Base-Backbone interact. energy: 3.003 local terms energy: -188.401269 where: bonds (distance) C4'-P energy: -54.648 bonds (distance) P-C4' energy: -55.394 flat angles C4'-P-C4' energy: -52.526 flat angles P-C4'-P energy: -36.170 tors. eta vs tors. theta energy: 10.337 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -671.525356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.525356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.525356 (E_RNA) where: Base-Base interactions energy: -340.262 where: short stacking energy: -253.662 Base-Backbone interact. energy: -1.785 local terms energy: -329.478369 where: bonds (distance) C4'-P energy: -73.181 bonds (distance) P-C4' energy: -75.280 flat angles C4'-P-C4' energy: -73.702 flat angles P-C4'-P energy: -49.066 tors. eta vs tors. theta energy: -58.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -631.494908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.494908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.494908 (E_RNA) where: Base-Base interactions energy: -303.721 where: short stacking energy: -227.654 Base-Backbone interact. energy: -0.607 local terms energy: -327.166932 where: bonds (distance) C4'-P energy: -74.188 bonds (distance) P-C4' energy: -70.496 flat angles C4'-P-C4' energy: -70.332 flat angles P-C4'-P energy: -50.343 tors. eta vs tors. theta energy: -61.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -648.868758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.868758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.868758 (E_RNA) where: Base-Base interactions energy: -364.015 where: short stacking energy: -234.630 Base-Backbone interact. energy: -1.325 local terms energy: -283.529386 where: bonds (distance) C4'-P energy: -61.700 bonds (distance) P-C4' energy: -61.833 flat angles C4'-P-C4' energy: -72.341 flat angles P-C4'-P energy: -29.661 tors. eta vs tors. theta energy: -57.995 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -522.549438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.549438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.549438 (E_RNA) where: Base-Base interactions energy: -245.575 where: short stacking energy: -168.665 Base-Backbone interact. energy: -1.371 local terms energy: -275.603088 where: bonds (distance) C4'-P energy: -59.386 bonds (distance) P-C4' energy: -74.847 flat angles C4'-P-C4' energy: -61.961 flat angles P-C4'-P energy: -48.593 tors. eta vs tors. theta energy: -30.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -550.253787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.253787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.253787 (E_RNA) where: Base-Base interactions energy: -280.544 where: short stacking energy: -190.674 Base-Backbone interact. energy: 1.006 local terms energy: -270.716114 where: bonds (distance) C4'-P energy: -68.768 bonds (distance) P-C4' energy: -67.757 flat angles C4'-P-C4' energy: -53.621 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -32.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -435.764567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.764567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.764567 (E_RNA) where: Base-Base interactions energy: -180.691 where: short stacking energy: -145.212 Base-Backbone interact. energy: -1.837 local terms energy: -253.236233 where: bonds (distance) C4'-P energy: -71.874 bonds (distance) P-C4' energy: -73.381 flat angles C4'-P-C4' energy: -52.718 flat angles P-C4'-P energy: -39.286 tors. eta vs tors. theta energy: -15.977 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: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -383.126395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.126395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.126395 (E_RNA) where: Base-Base interactions energy: -151.594 where: short stacking energy: -114.740 Base-Backbone interact. energy: -2.054 local terms energy: -229.478388 where: bonds (distance) C4'-P energy: -62.263 bonds (distance) P-C4' energy: -66.493 flat angles C4'-P-C4' energy: -61.694 flat angles P-C4'-P energy: -36.817 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: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -376.429153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.429153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.429153 (E_RNA) where: Base-Base interactions energy: -155.113 where: short stacking energy: -125.480 Base-Backbone interact. energy: 2.452 local terms energy: -223.768637 where: bonds (distance) C4'-P energy: -50.759 bonds (distance) P-C4' energy: -60.609 flat angles C4'-P-C4' energy: -56.799 flat angles P-C4'-P energy: -38.811 tors. eta vs tors. theta energy: -16.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -345.402235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.402235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.402235 (E_RNA) where: Base-Base interactions energy: -162.535 where: short stacking energy: -101.276 Base-Backbone interact. energy: -0.456 local terms energy: -182.411394 where: bonds (distance) C4'-P energy: -64.717 bonds (distance) P-C4' energy: -56.949 flat angles C4'-P-C4' energy: -35.289 flat angles P-C4'-P energy: -37.729 tors. eta vs tors. theta energy: 12.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -281.510195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.510195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.510195 (E_RNA) where: Base-Base interactions energy: -93.967 where: short stacking energy: -84.387 Base-Backbone interact. energy: 2.152 local terms energy: -189.694307 where: bonds (distance) C4'-P energy: -66.673 bonds (distance) P-C4' energy: -52.335 flat angles C4'-P-C4' energy: -47.238 flat angles P-C4'-P energy: -29.893 tors. eta vs tors. theta energy: 6.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -684.728540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.728540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.728540 (E_RNA) where: Base-Base interactions energy: -369.775 where: short stacking energy: -260.952 Base-Backbone interact. energy: 0.531 local terms energy: -315.484874 where: bonds (distance) C4'-P energy: -66.609 bonds (distance) P-C4' energy: -69.718 flat angles C4'-P-C4' energy: -65.345 flat angles P-C4'-P energy: -55.804 tors. eta vs tors. theta energy: -58.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -765.414367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.414367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.414367 (E_RNA) where: Base-Base interactions energy: -438.990 where: short stacking energy: -254.974 Base-Backbone interact. energy: -0.779 local terms energy: -325.644699 where: bonds (distance) C4'-P energy: -70.581 bonds (distance) P-C4' energy: -69.856 flat angles C4'-P-C4' energy: -73.719 flat angles P-C4'-P energy: -47.157 tors. eta vs tors. theta energy: -64.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -648.261364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.261364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.261364 (E_RNA) where: Base-Base interactions energy: -344.414 where: short stacking energy: -213.942 Base-Backbone interact. energy: 1.998 local terms energy: -305.845506 where: bonds (distance) C4'-P energy: -64.044 bonds (distance) P-C4' energy: -76.875 flat angles C4'-P-C4' energy: -76.609 flat angles P-C4'-P energy: -33.270 tors. eta vs tors. theta energy: -55.048 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -624.023259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.023259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.023259 (E_RNA) where: Base-Base interactions energy: -337.782 where: short stacking energy: -196.125 Base-Backbone interact. energy: -2.587 local terms energy: -283.653626 where: bonds (distance) C4'-P energy: -71.704 bonds (distance) P-C4' energy: -64.736 flat angles C4'-P-C4' energy: -64.552 flat angles P-C4'-P energy: -37.520 tors. eta vs tors. theta energy: -45.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -599.482353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.482353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.482353 (E_RNA) where: Base-Base interactions energy: -321.374 where: short stacking energy: -201.419 Base-Backbone interact. energy: -0.440 local terms energy: -277.669072 where: bonds (distance) C4'-P energy: -57.808 bonds (distance) P-C4' energy: -67.066 flat angles C4'-P-C4' energy: -71.418 flat angles P-C4'-P energy: -47.110 tors. eta vs tors. theta energy: -34.267 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: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -431.319513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.319513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.319513 (E_RNA) where: Base-Base interactions energy: -194.658 where: short stacking energy: -131.465 Base-Backbone interact. energy: -0.041 local terms energy: -236.620995 where: bonds (distance) C4'-P energy: -62.831 bonds (distance) P-C4' energy: -56.757 flat angles C4'-P-C4' energy: -67.560 flat angles P-C4'-P energy: -25.573 tors. eta vs tors. theta energy: -23.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -430.199748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.199748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.199748 (E_RNA) where: Base-Base interactions energy: -197.464 where: short stacking energy: -147.469 Base-Backbone interact. energy: 0.268 local terms energy: -233.002977 where: bonds (distance) C4'-P energy: -57.586 bonds (distance) P-C4' energy: -56.543 flat angles C4'-P-C4' energy: -55.908 flat angles P-C4'-P energy: -34.976 tors. eta vs tors. theta energy: -27.990 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -386.861134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.861134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.861134 (E_RNA) where: Base-Base interactions energy: -190.409 where: short stacking energy: -135.893 Base-Backbone interact. energy: 2.871 local terms energy: -199.323492 where: bonds (distance) C4'-P energy: -41.198 bonds (distance) P-C4' energy: -64.617 flat angles C4'-P-C4' energy: -50.530 flat angles P-C4'-P energy: -30.714 tors. eta vs tors. theta energy: -12.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -335.366919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.366919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.366919 (E_RNA) where: Base-Base interactions energy: -136.189 where: short stacking energy: -81.719 Base-Backbone interact. energy: 0.186 local terms energy: -199.363711 where: bonds (distance) C4'-P energy: -58.383 bonds (distance) P-C4' energy: -62.705 flat angles C4'-P-C4' energy: -49.987 flat angles P-C4'-P energy: -26.593 tors. eta vs tors. theta energy: -1.695 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: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -283.673703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.673703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.673703 (E_RNA) where: Base-Base interactions energy: -94.689 where: short stacking energy: -87.337 Base-Backbone interact. energy: -1.090 local terms energy: -187.894361 where: bonds (distance) C4'-P energy: -56.146 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -37.743 flat angles P-C4'-P energy: -32.836 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -818.916436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.916436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.916436 (E_RNA) where: Base-Base interactions energy: -471.134 where: short stacking energy: -285.862 Base-Backbone interact. energy: -0.498 local terms energy: -347.284493 where: bonds (distance) C4'-P energy: -69.455 bonds (distance) P-C4' energy: -77.547 flat angles C4'-P-C4' energy: -76.504 flat angles P-C4'-P energy: -48.167 tors. eta vs tors. theta energy: -75.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -658.615063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.615063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.615063 (E_RNA) where: Base-Base interactions energy: -365.777 where: short stacking energy: -245.958 Base-Backbone interact. energy: 0.446 local terms energy: -293.284671 where: bonds (distance) C4'-P energy: -61.290 bonds (distance) P-C4' energy: -72.594 flat angles C4'-P-C4' energy: -63.192 flat angles P-C4'-P energy: -41.704 tors. eta vs tors. theta energy: -54.505 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: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -649.157303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.157303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.157303 (E_RNA) where: Base-Base interactions energy: -344.992 where: short stacking energy: -186.591 Base-Backbone interact. energy: -0.224 local terms energy: -303.940748 where: bonds (distance) C4'-P energy: -80.374 bonds (distance) P-C4' energy: -70.575 flat angles C4'-P-C4' energy: -65.868 flat angles P-C4'-P energy: -44.694 tors. eta vs tors. theta energy: -42.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -648.323411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.323411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.323411 (E_RNA) where: Base-Base interactions energy: -354.829 where: short stacking energy: -231.337 Base-Backbone interact. energy: -2.662 local terms energy: -290.832319 where: bonds (distance) C4'-P energy: -67.484 bonds (distance) P-C4' energy: -70.449 flat angles C4'-P-C4' energy: -58.238 flat angles P-C4'-P energy: -40.085 tors. eta vs tors. theta energy: -54.577 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: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -612.237535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.237535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.237535 (E_RNA) where: Base-Base interactions energy: -346.430 where: short stacking energy: -201.081 Base-Backbone interact. energy: 0.971 local terms energy: -266.778395 where: bonds (distance) C4'-P energy: -61.562 bonds (distance) P-C4' energy: -69.270 flat angles C4'-P-C4' energy: -64.493 flat angles P-C4'-P energy: -40.305 tors. eta vs tors. theta energy: -31.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -442.146005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.146005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.146005 (E_RNA) where: Base-Base interactions energy: -182.257 where: short stacking energy: -140.569 Base-Backbone interact. energy: 0.273 local terms energy: -260.162020 where: bonds (distance) C4'-P energy: -67.454 bonds (distance) P-C4' energy: -70.283 flat angles C4'-P-C4' energy: -59.370 flat angles P-C4'-P energy: -39.257 tors. eta vs tors. theta energy: -23.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -475.436343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.436343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.436343 (E_RNA) where: Base-Base interactions energy: -227.910 where: short stacking energy: -116.290 Base-Backbone interact. energy: -1.421 local terms energy: -246.105707 where: bonds (distance) C4'-P energy: -60.105 bonds (distance) P-C4' energy: -68.642 flat angles C4'-P-C4' energy: -58.032 flat angles P-C4'-P energy: -47.340 tors. eta vs tors. theta energy: -11.987 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: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -400.406197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.406197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.406197 (E_RNA) where: Base-Base interactions energy: -177.340 where: short stacking energy: -122.596 Base-Backbone interact. energy: -2.980 local terms energy: -220.086328 where: bonds (distance) C4'-P energy: -55.526 bonds (distance) P-C4' energy: -61.577 flat angles C4'-P-C4' energy: -50.456 flat angles P-C4'-P energy: -42.354 tors. eta vs tors. theta energy: -10.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -411.832400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.832400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.832400 (E_RNA) where: Base-Base interactions energy: -195.801 where: short stacking energy: -107.339 Base-Backbone interact. energy: -0.367 local terms energy: -215.665235 where: bonds (distance) C4'-P energy: -61.629 bonds (distance) P-C4' energy: -72.091 flat angles C4'-P-C4' energy: -49.588 flat angles P-C4'-P energy: -30.302 tors. eta vs tors. theta energy: -2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -339.912095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.912095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.912095 (E_RNA) where: Base-Base interactions energy: -146.845 where: short stacking energy: -78.333 Base-Backbone interact. energy: -1.724 local terms energy: -191.343368 where: bonds (distance) C4'-P energy: -57.725 bonds (distance) P-C4' energy: -57.541 flat angles C4'-P-C4' energy: -57.032 flat angles P-C4'-P energy: -30.213 tors. eta vs tors. theta energy: 11.167 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: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -821.593870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.593870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.593870 (E_RNA) where: Base-Base interactions energy: -475.582 where: short stacking energy: -300.076 Base-Backbone interact. energy: -2.890 local terms energy: -343.122098 where: bonds (distance) C4'-P energy: -65.128 bonds (distance) P-C4' energy: -67.483 flat angles C4'-P-C4' energy: -69.079 flat angles P-C4'-P energy: -56.651 tors. eta vs tors. theta energy: -84.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -757.826075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.826075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.826075 (E_RNA) where: Base-Base interactions energy: -450.218 where: short stacking energy: -235.155 Base-Backbone interact. energy: -2.780 local terms energy: -304.828276 where: bonds (distance) C4'-P energy: -61.192 bonds (distance) P-C4' energy: -70.332 flat angles C4'-P-C4' energy: -69.086 flat angles P-C4'-P energy: -49.254 tors. eta vs tors. theta energy: -54.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -645.563693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.563693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.563693 (E_RNA) where: Base-Base interactions energy: -370.121 where: short stacking energy: -207.121 Base-Backbone interact. energy: -3.151 local terms energy: -272.292418 where: bonds (distance) C4'-P energy: -64.276 bonds (distance) P-C4' energy: -68.215 flat angles C4'-P-C4' energy: -59.103 flat angles P-C4'-P energy: -44.077 tors. eta vs tors. theta energy: -36.620 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: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -621.099117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.099117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.099117 (E_RNA) where: Base-Base interactions energy: -332.383 where: short stacking energy: -215.867 Base-Backbone interact. energy: -0.922 local terms energy: -287.793967 where: bonds (distance) C4'-P energy: -56.756 bonds (distance) P-C4' energy: -61.514 flat angles C4'-P-C4' energy: -77.098 flat angles P-C4'-P energy: -45.540 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: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -614.156358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.156358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.156358 (E_RNA) where: Base-Base interactions energy: -343.767 where: short stacking energy: -211.972 Base-Backbone interact. energy: 1.214 local terms energy: -271.603487 where: bonds (distance) C4'-P energy: -71.231 bonds (distance) P-C4' energy: -76.265 flat angles C4'-P-C4' energy: -54.012 flat angles P-C4'-P energy: -32.988 tors. eta vs tors. theta energy: -37.107 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: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -516.769896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.769896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.769896 (E_RNA) where: Base-Base interactions energy: -286.372 where: short stacking energy: -168.742 Base-Backbone interact. energy: 3.484 local terms energy: -233.881358 where: bonds (distance) C4'-P energy: -59.368 bonds (distance) P-C4' energy: -57.508 flat angles C4'-P-C4' energy: -44.485 flat angles P-C4'-P energy: -39.777 tors. eta vs tors. theta energy: -32.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -452.650303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.650303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.650303 (E_RNA) where: Base-Base interactions energy: -227.848 where: short stacking energy: -163.683 Base-Backbone interact. energy: -0.772 local terms energy: -224.030038 where: bonds (distance) C4'-P energy: -53.213 bonds (distance) P-C4' energy: -53.962 flat angles C4'-P-C4' energy: -66.765 flat angles P-C4'-P energy: -28.016 tors. eta vs tors. theta energy: -22.074 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -434.606227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.606227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.606227 (E_RNA) where: Base-Base interactions energy: -208.437 where: short stacking energy: -132.298 Base-Backbone interact. energy: -0.285 local terms energy: -225.884202 where: bonds (distance) C4'-P energy: -50.774 bonds (distance) P-C4' energy: -60.790 flat angles C4'-P-C4' energy: -62.453 flat angles P-C4'-P energy: -46.943 tors. eta vs tors. theta energy: -4.924 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: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -307.963433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.963433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.963433 (E_RNA) where: Base-Base interactions energy: -141.774 where: short stacking energy: -87.819 Base-Backbone interact. energy: 1.801 local terms energy: -167.990109 where: bonds (distance) C4'-P energy: -47.044 bonds (distance) P-C4' energy: -67.883 flat angles C4'-P-C4' energy: -40.051 flat angles P-C4'-P energy: -28.671 tors. eta vs tors. theta energy: 15.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -361.970027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.970027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.970027 (E_RNA) where: Base-Base interactions energy: -153.200 where: short stacking energy: -93.115 Base-Backbone interact. energy: 3.289 local terms energy: -212.058195 where: bonds (distance) C4'-P energy: -45.696 bonds (distance) P-C4' energy: -67.773 flat angles C4'-P-C4' energy: -66.194 flat angles P-C4'-P energy: -27.031 tors. eta vs tors. theta energy: -5.365 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: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -833.116229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.116229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.116229 (E_RNA) where: Base-Base interactions energy: -509.812 where: short stacking energy: -284.788 Base-Backbone interact. energy: -2.118 local terms energy: -321.186342 where: bonds (distance) C4'-P energy: -64.442 bonds (distance) P-C4' energy: -69.930 flat angles C4'-P-C4' energy: -76.666 flat angles P-C4'-P energy: -37.401 tors. eta vs tors. theta energy: -72.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -759.600554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.600554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.600554 (E_RNA) where: Base-Base interactions energy: -451.060 where: short stacking energy: -267.867 Base-Backbone interact. energy: -0.842 local terms energy: -307.698545 where: bonds (distance) C4'-P energy: -71.418 bonds (distance) P-C4' energy: -66.518 flat angles C4'-P-C4' energy: -72.667 flat angles P-C4'-P energy: -29.734 tors. eta vs tors. theta energy: -67.362 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: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -687.901014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.901014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.901014 (E_RNA) where: Base-Base interactions energy: -401.313 where: short stacking energy: -219.352 Base-Backbone interact. energy: -2.104 local terms energy: -284.483839 where: bonds (distance) C4'-P energy: -67.306 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -75.204 flat angles P-C4'-P energy: -38.115 tors. eta vs tors. theta energy: -38.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -620.725357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.725357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.725357 (E_RNA) where: Base-Base interactions energy: -339.766 where: short stacking energy: -188.234 Base-Backbone interact. energy: -0.829 local terms energy: -280.130367 where: bonds (distance) C4'-P energy: -59.062 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -58.208 flat angles P-C4'-P energy: -55.715 tors. eta vs tors. theta energy: -42.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -622.886522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.886522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.886522 (E_RNA) where: Base-Base interactions energy: -351.554 where: short stacking energy: -202.916 Base-Backbone interact. energy: 3.359 local terms energy: -274.691261 where: bonds (distance) C4'-P energy: -71.925 bonds (distance) P-C4' energy: -70.158 flat angles C4'-P-C4' energy: -50.274 flat angles P-C4'-P energy: -40.597 tors. eta vs tors. theta energy: -41.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -561.699191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.699191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.699191 (E_RNA) where: Base-Base interactions energy: -303.370 where: short stacking energy: -181.738 Base-Backbone interact. energy: 3.951 local terms energy: -262.280340 where: bonds (distance) C4'-P energy: -60.722 bonds (distance) P-C4' energy: -61.567 flat angles C4'-P-C4' energy: -58.394 flat angles P-C4'-P energy: -41.631 tors. eta vs tors. theta energy: -39.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -494.413867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.413867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.413867 (E_RNA) where: Base-Base interactions energy: -256.686 where: short stacking energy: -147.478 Base-Backbone interact. energy: 2.024 local terms energy: -239.751541 where: bonds (distance) C4'-P energy: -62.038 bonds (distance) P-C4' energy: -59.469 flat angles C4'-P-C4' energy: -58.832 flat angles P-C4'-P energy: -35.312 tors. eta vs tors. theta energy: -24.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -357.672392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.672392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.672392 (E_RNA) where: Base-Base interactions energy: -159.489 where: short stacking energy: -111.386 Base-Backbone interact. energy: -0.939 local terms energy: -197.243812 where: bonds (distance) C4'-P energy: -59.516 bonds (distance) P-C4' energy: -70.327 flat angles C4'-P-C4' energy: -60.011 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -361.135761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.135761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.135761 (E_RNA) where: Base-Base interactions energy: -175.447 where: short stacking energy: -106.725 Base-Backbone interact. energy: 2.187 local terms energy: -187.876157 where: bonds (distance) C4'-P energy: -58.392 bonds (distance) P-C4' energy: -49.008 flat angles C4'-P-C4' energy: -44.549 flat angles P-C4'-P energy: -25.171 tors. eta vs tors. theta energy: -10.757 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: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -301.765468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.765468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.765468 (E_RNA) where: Base-Base interactions energy: -101.981 where: short stacking energy: -70.435 Base-Backbone interact. energy: -0.535 local terms energy: -199.248777 where: bonds (distance) C4'-P energy: -57.903 bonds (distance) P-C4' energy: -61.642 flat angles C4'-P-C4' energy: -54.003 flat angles P-C4'-P energy: -33.342 tors. eta vs tors. theta energy: 7.642 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: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -855.995294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.995294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.995294 (E_RNA) where: Base-Base interactions energy: -532.094 where: short stacking energy: -306.978 Base-Backbone interact. energy: -1.948 local terms energy: -321.953246 where: bonds (distance) C4'-P energy: -65.160 bonds (distance) P-C4' energy: -77.502 flat angles C4'-P-C4' energy: -66.921 flat angles P-C4'-P energy: -33.909 tors. eta vs tors. theta energy: -78.462 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: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -802.624429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.624429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.624429 (E_RNA) where: Base-Base interactions energy: -489.876 where: short stacking energy: -271.087 Base-Backbone interact. energy: -2.535 local terms energy: -310.213974 where: bonds (distance) C4'-P energy: -60.666 bonds (distance) P-C4' energy: -69.773 flat angles C4'-P-C4' energy: -68.097 flat angles P-C4'-P energy: -48.830 tors. eta vs tors. theta energy: -62.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -716.320354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.320354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.320354 (E_RNA) where: Base-Base interactions energy: -421.048 where: short stacking energy: -230.651 Base-Backbone interact. energy: 0.088 local terms energy: -295.360840 where: bonds (distance) C4'-P energy: -63.609 bonds (distance) P-C4' energy: -66.708 flat angles C4'-P-C4' energy: -76.775 flat angles P-C4'-P energy: -38.203 tors. eta vs tors. theta energy: -50.066 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: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -712.515996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.515996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.515996 (E_RNA) where: Base-Base interactions energy: -434.374 where: short stacking energy: -222.596 Base-Backbone interact. energy: -3.956 local terms energy: -274.185329 where: bonds (distance) C4'-P energy: -61.744 bonds (distance) P-C4' energy: -70.053 flat angles C4'-P-C4' energy: -63.345 flat angles P-C4'-P energy: -36.672 tors. eta vs tors. theta energy: -42.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -610.978701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.978701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.978701 (E_RNA) where: Base-Base interactions energy: -335.302 where: short stacking energy: -211.907 Base-Backbone interact. energy: -0.518 local terms energy: -275.158069 where: bonds (distance) C4'-P energy: -61.526 bonds (distance) P-C4' energy: -71.593 flat angles C4'-P-C4' energy: -66.055 flat angles P-C4'-P energy: -35.088 tors. eta vs tors. theta energy: -40.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -561.514849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.514849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.514849 (E_RNA) where: Base-Base interactions energy: -303.606 where: short stacking energy: -186.819 Base-Backbone interact. energy: 0.502 local terms energy: -258.410369 where: bonds (distance) C4'-P energy: -56.016 bonds (distance) P-C4' energy: -66.401 flat angles C4'-P-C4' energy: -57.228 flat angles P-C4'-P energy: -41.740 tors. eta vs tors. theta energy: -37.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -500.816742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.816742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.816742 (E_RNA) where: Base-Base interactions energy: -270.652 where: short stacking energy: -148.584 Base-Backbone interact. energy: 3.763 local terms energy: -233.927647 where: bonds (distance) C4'-P energy: -58.168 bonds (distance) P-C4' energy: -59.067 flat angles C4'-P-C4' energy: -55.228 flat angles P-C4'-P energy: -37.980 tors. eta vs tors. theta energy: -23.484 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: 9 Temperature: 1.250000 Total energy: -424.571187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.571187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.571187 (E_RNA) where: Base-Base interactions energy: -198.499 where: short stacking energy: -100.926 Base-Backbone interact. energy: -1.667 local terms energy: -224.404890 where: bonds (distance) C4'-P energy: -62.817 bonds (distance) P-C4' energy: -62.507 flat angles C4'-P-C4' energy: -52.134 flat angles P-C4'-P energy: -39.386 tors. eta vs tors. theta energy: -7.562 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: 9 Temperature: 1.300000 Total energy: -320.446425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.446425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.446425 (E_RNA) where: Base-Base interactions energy: -137.464 where: short stacking energy: -110.198 Base-Backbone interact. energy: 4.139 local terms energy: -187.120745 where: bonds (distance) C4'-P energy: -62.498 bonds (distance) P-C4' energy: -57.298 flat angles C4'-P-C4' energy: -43.822 flat angles P-C4'-P energy: -27.164 tors. eta vs tors. theta energy: 3.661 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: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -323.307331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.307331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.307331 (E_RNA) where: Base-Base interactions energy: -114.675 where: short stacking energy: -79.257 Base-Backbone interact. energy: -0.737 local terms energy: -207.896147 where: bonds (distance) C4'-P energy: -57.072 bonds (distance) P-C4' energy: -59.799 flat angles C4'-P-C4' energy: -54.606 flat angles P-C4'-P energy: -35.022 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -864.649771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.649771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.649771 (E_RNA) where: Base-Base interactions energy: -532.147 where: short stacking energy: -287.760 Base-Backbone interact. energy: -1.141 local terms energy: -331.361888 where: bonds (distance) C4'-P energy: -63.979 bonds (distance) P-C4' energy: -70.594 flat angles C4'-P-C4' energy: -80.252 flat angles P-C4'-P energy: -47.669 tors. eta vs tors. theta energy: -68.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -752.859155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.859155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.859155 (E_RNA) where: Base-Base interactions energy: -435.534 where: short stacking energy: -243.568 Base-Backbone interact. energy: -2.236 local terms energy: -315.089060 where: bonds (distance) C4'-P energy: -61.743 bonds (distance) P-C4' energy: -75.664 flat angles C4'-P-C4' energy: -79.103 flat angles P-C4'-P energy: -38.900 tors. eta vs tors. theta energy: -59.679 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: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -718.797539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.797539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.797539 (E_RNA) where: Base-Base interactions energy: -403.136 where: short stacking energy: -228.872 Base-Backbone interact. energy: 0.399 local terms energy: -316.061150 where: bonds (distance) C4'-P energy: -66.412 bonds (distance) P-C4' energy: -81.470 flat angles C4'-P-C4' energy: -75.802 flat angles P-C4'-P energy: -34.113 tors. eta vs tors. theta energy: -58.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -709.902349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.902349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.902349 (E_RNA) where: Base-Base interactions energy: -432.688 where: short stacking energy: -227.019 Base-Backbone interact. energy: -2.424 local terms energy: -274.790189 where: bonds (distance) C4'-P energy: -58.910 bonds (distance) P-C4' energy: -62.386 flat angles C4'-P-C4' energy: -64.644 flat angles P-C4'-P energy: -44.240 tors. eta vs tors. theta energy: -44.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -595.603124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.603124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.603124 (E_RNA) where: Base-Base interactions energy: -329.563 where: short stacking energy: -205.738 Base-Backbone interact. energy: -0.261 local terms energy: -265.779035 where: bonds (distance) C4'-P energy: -56.728 bonds (distance) P-C4' energy: -75.108 flat angles C4'-P-C4' energy: -67.084 flat angles P-C4'-P energy: -29.560 tors. eta vs tors. theta energy: -37.298 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: 6, replica: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -579.858691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.858691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.858691 (E_RNA) where: Base-Base interactions energy: -312.722 where: short stacking energy: -180.858 Base-Backbone interact. energy: 2.941 local terms energy: -270.077519 where: bonds (distance) C4'-P energy: -57.516 bonds (distance) P-C4' energy: -65.018 flat angles C4'-P-C4' energy: -67.677 flat angles P-C4'-P energy: -39.622 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: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -509.188642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.188642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.188642 (E_RNA) where: Base-Base interactions energy: -259.483 where: short stacking energy: -150.539 Base-Backbone interact. energy: -0.645 local terms energy: -249.060950 where: bonds (distance) C4'-P energy: -56.334 bonds (distance) P-C4' energy: -70.936 flat angles C4'-P-C4' energy: -51.405 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -25.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -464.780359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.780359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.780359 (E_RNA) where: Base-Base interactions energy: -264.596 where: short stacking energy: -150.106 Base-Backbone interact. energy: -1.233 local terms energy: -198.951113 where: bonds (distance) C4'-P energy: -52.844 bonds (distance) P-C4' energy: -49.027 flat angles C4'-P-C4' energy: -44.152 flat angles P-C4'-P energy: -32.357 tors. eta vs tors. theta energy: -20.571 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: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -353.976194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.976194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.976194 (E_RNA) where: Base-Base interactions energy: -162.866 where: short stacking energy: -115.557 Base-Backbone interact. energy: -0.220 local terms energy: -190.890311 where: bonds (distance) C4'-P energy: -60.492 bonds (distance) P-C4' energy: -56.952 flat angles C4'-P-C4' energy: -41.688 flat angles P-C4'-P energy: -33.522 tors. eta vs tors. theta energy: 1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -287.161592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.161592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.161592 (E_RNA) where: Base-Base interactions energy: -115.219 where: short stacking energy: -80.423 Base-Backbone interact. energy: -0.390 local terms energy: -171.552713 where: bonds (distance) C4'-P energy: -61.540 bonds (distance) P-C4' energy: -52.058 flat angles C4'-P-C4' energy: -46.313 flat angles P-C4'-P energy: -20.449 tors. eta vs tors. theta energy: 8.806 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: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -955.266515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.266515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.266515 (E_RNA) where: Base-Base interactions energy: -627.118 where: short stacking energy: -308.770 Base-Backbone interact. energy: -0.744 local terms energy: -327.404142 where: bonds (distance) C4'-P energy: -59.072 bonds (distance) P-C4' energy: -74.188 flat angles C4'-P-C4' energy: -70.477 flat angles P-C4'-P energy: -45.125 tors. eta vs tors. theta energy: -78.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -840.252955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.252955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.252955 (E_RNA) where: Base-Base interactions energy: -512.694 where: short stacking energy: -269.784 Base-Backbone interact. energy: 0.280 local terms energy: -327.838606 where: bonds (distance) C4'-P energy: -62.367 bonds (distance) P-C4' energy: -70.879 flat angles C4'-P-C4' energy: -71.169 flat angles P-C4'-P energy: -49.562 tors. eta vs tors. theta energy: -73.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -691.825109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.825109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.825109 (E_RNA) where: Base-Base interactions energy: -382.300 where: short stacking energy: -233.742 Base-Backbone interact. energy: -1.453 local terms energy: -308.072094 where: bonds (distance) C4'-P energy: -65.705 bonds (distance) P-C4' energy: -69.253 flat angles C4'-P-C4' energy: -72.699 flat angles P-C4'-P energy: -52.087 tors. eta vs tors. theta energy: -48.328 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: 1 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -687.069223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.069223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.069223 (E_RNA) where: Base-Base interactions energy: -405.651 where: short stacking energy: -207.449 Base-Backbone interact. energy: -2.033 local terms energy: -279.385290 where: bonds (distance) C4'-P energy: -66.916 bonds (distance) P-C4' energy: -69.311 flat angles C4'-P-C4' energy: -62.042 flat angles P-C4'-P energy: -42.258 tors. eta vs tors. theta energy: -38.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -658.218259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.218259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.218259 (E_RNA) where: Base-Base interactions energy: -382.660 where: short stacking energy: -218.218 Base-Backbone interact. energy: -1.102 local terms energy: -274.456345 where: bonds (distance) C4'-P energy: -51.765 bonds (distance) P-C4' energy: -60.486 flat angles C4'-P-C4' energy: -67.982 flat angles P-C4'-P energy: -32.545 tors. eta vs tors. theta energy: -61.678 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: 11 Temperature: 1.150000 Total energy: -701.799708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.799708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.799708 (E_RNA) where: Base-Base interactions energy: -420.784 where: short stacking energy: -194.081 Base-Backbone interact. energy: -1.157 local terms energy: -279.858654 where: bonds (distance) C4'-P energy: -56.788 bonds (distance) P-C4' energy: -68.832 flat angles C4'-P-C4' energy: -64.458 flat angles P-C4'-P energy: -42.386 tors. eta vs tors. theta energy: -47.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -549.226065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.226065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.226065 (E_RNA) where: Base-Base interactions energy: -310.255 where: short stacking energy: -161.883 Base-Backbone interact. energy: -0.482 local terms energy: -238.488392 where: bonds (distance) C4'-P energy: -57.986 bonds (distance) P-C4' energy: -67.325 flat angles C4'-P-C4' energy: -56.531 flat angles P-C4'-P energy: -32.887 tors. eta vs tors. theta energy: -23.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -425.732933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.732933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.732933 (E_RNA) where: Base-Base interactions energy: -208.544 where: short stacking energy: -131.026 Base-Backbone interact. energy: 0.314 local terms energy: -217.502948 where: bonds (distance) C4'-P energy: -58.657 bonds (distance) P-C4' energy: -54.709 flat angles C4'-P-C4' energy: -59.380 flat angles P-C4'-P energy: -34.043 tors. eta vs tors. theta energy: -10.715 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: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -406.429618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.429618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.429618 (E_RNA) where: Base-Base interactions energy: -206.246 where: short stacking energy: -123.908 Base-Backbone interact. energy: -0.179 local terms energy: -200.003911 where: bonds (distance) C4'-P energy: -53.689 bonds (distance) P-C4' energy: -64.682 flat angles C4'-P-C4' energy: -51.249 flat angles P-C4'-P energy: -17.751 tors. eta vs tors. theta energy: -12.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -337.791173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.791173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.791173 (E_RNA) where: Base-Base interactions energy: -158.633 where: short stacking energy: -91.099 Base-Backbone interact. energy: 4.059 local terms energy: -183.217165 where: bonds (distance) C4'-P energy: -39.902 bonds (distance) P-C4' energy: -68.394 flat angles C4'-P-C4' energy: -54.574 flat angles P-C4'-P energy: -17.949 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -950.406269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.406269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.406269 (E_RNA) where: Base-Base interactions energy: -601.213 where: short stacking energy: -299.213 Base-Backbone interact. energy: -2.339 local terms energy: -346.854300 where: bonds (distance) C4'-P energy: -77.890 bonds (distance) P-C4' energy: -67.504 flat angles C4'-P-C4' energy: -69.754 flat angles P-C4'-P energy: -48.555 tors. eta vs tors. theta energy: -83.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -865.797571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.797571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.797571 (E_RNA) where: Base-Base interactions energy: -532.147 where: short stacking energy: -274.885 Base-Backbone interact. energy: -0.948 local terms energy: -332.703021 where: bonds (distance) C4'-P energy: -70.894 bonds (distance) P-C4' energy: -69.824 flat angles C4'-P-C4' energy: -78.373 flat angles P-C4'-P energy: -43.020 tors. eta vs tors. theta energy: -70.591 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: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -701.196973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.196973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.196973 (E_RNA) where: Base-Base interactions energy: -400.850 where: short stacking energy: -243.439 Base-Backbone interact. energy: -1.142 local terms energy: -299.205384 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -57.961 flat angles C4'-P-C4' energy: -66.268 flat angles P-C4'-P energy: -53.178 tors. eta vs tors. theta energy: -51.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -671.766630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.766630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.766630 (E_RNA) where: Base-Base interactions energy: -400.944 where: short stacking energy: -217.170 Base-Backbone interact. energy: -1.695 local terms energy: -269.127001 where: bonds (distance) C4'-P energy: -68.753 bonds (distance) P-C4' energy: -65.902 flat angles C4'-P-C4' energy: -60.972 flat angles P-C4'-P energy: -35.118 tors. eta vs tors. theta energy: -38.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -741.695857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.695857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.695857 (E_RNA) where: Base-Base interactions energy: -465.522 where: short stacking energy: -217.139 Base-Backbone interact. energy: 0.303 local terms energy: -276.476621 where: bonds (distance) C4'-P energy: -56.604 bonds (distance) P-C4' energy: -65.244 flat angles C4'-P-C4' energy: -60.330 flat angles P-C4'-P energy: -48.904 tors. eta vs tors. theta energy: -45.396 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: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -636.730544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.730544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.730544 (E_RNA) where: Base-Base interactions energy: -376.009 where: short stacking energy: -200.576 Base-Backbone interact. energy: -1.658 local terms energy: -259.064079 where: bonds (distance) C4'-P energy: -58.782 bonds (distance) P-C4' energy: -59.964 flat angles C4'-P-C4' energy: -59.152 flat angles P-C4'-P energy: -33.253 tors. eta vs tors. theta energy: -47.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -556.441175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.441175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.441175 (E_RNA) where: Base-Base interactions energy: -328.094 where: short stacking energy: -202.382 Base-Backbone interact. energy: 5.582 local terms energy: -233.929826 where: bonds (distance) C4'-P energy: -49.051 bonds (distance) P-C4' energy: -55.151 flat angles C4'-P-C4' energy: -51.537 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -33.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -424.180969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.180969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.180969 (E_RNA) where: Base-Base interactions energy: -197.005 where: short stacking energy: -128.221 Base-Backbone interact. energy: 0.933 local terms energy: -228.109189 where: bonds (distance) C4'-P energy: -62.836 bonds (distance) P-C4' energy: -67.318 flat angles C4'-P-C4' energy: -49.463 flat angles P-C4'-P energy: -25.943 tors. eta vs tors. theta energy: -22.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -439.170318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.170318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.170318 (E_RNA) where: Base-Base interactions energy: -218.336 where: short stacking energy: -112.189 Base-Backbone interact. energy: -0.603 local terms energy: -220.230602 where: bonds (distance) C4'-P energy: -58.231 bonds (distance) P-C4' energy: -59.437 flat angles C4'-P-C4' energy: -58.288 flat angles P-C4'-P energy: -45.809 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: 10, replica: 6 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -276.240882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.240882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.240882 (E_RNA) where: Base-Base interactions energy: -76.243 where: short stacking energy: -67.450 Base-Backbone interact. energy: -1.408 local terms energy: -198.589341 where: bonds (distance) C4'-P energy: -70.118 bonds (distance) P-C4' energy: -53.494 flat angles C4'-P-C4' energy: -44.616 flat angles P-C4'-P energy: -36.070 tors. eta vs tors. theta energy: 5.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -989.188031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.188031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.188031 (E_RNA) where: Base-Base interactions energy: -627.719 where: short stacking energy: -306.736 Base-Backbone interact. energy: 0.042 local terms energy: -361.511071 where: bonds (distance) C4'-P energy: -70.429 bonds (distance) P-C4' energy: -68.311 flat angles C4'-P-C4' energy: -71.243 flat angles P-C4'-P energy: -54.767 tors. eta vs tors. theta energy: -96.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -855.095857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.095857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.095857 (E_RNA) where: Base-Base interactions energy: -520.239 where: short stacking energy: -276.197 Base-Backbone interact. energy: -0.808 local terms energy: -334.049493 where: bonds (distance) C4'-P energy: -69.672 bonds (distance) P-C4' energy: -75.076 flat angles C4'-P-C4' energy: -70.259 flat angles P-C4'-P energy: -40.373 tors. eta vs tors. theta energy: -78.670 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: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -738.713566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.713566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.713566 (E_RNA) where: Base-Base interactions energy: -435.713 where: short stacking energy: -237.887 Base-Backbone interact. energy: -2.832 local terms energy: -300.168551 where: bonds (distance) C4'-P energy: -61.851 bonds (distance) P-C4' energy: -64.801 flat angles C4'-P-C4' energy: -70.193 flat angles P-C4'-P energy: -49.250 tors. eta vs tors. theta energy: -54.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -834.955079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.955079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.955079 (E_RNA) where: Base-Base interactions energy: -534.159 where: short stacking energy: -248.668 Base-Backbone interact. energy: -3.180 local terms energy: -297.616764 where: bonds (distance) C4'-P energy: -63.070 bonds (distance) P-C4' energy: -59.946 flat angles C4'-P-C4' energy: -65.655 flat angles P-C4'-P energy: -40.211 tors. eta vs tors. theta energy: -68.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -602.935146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.935146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.935146 (E_RNA) where: Base-Base interactions energy: -346.506 where: short stacking energy: -176.795 Base-Backbone interact. energy: -0.770 local terms energy: -255.658471 where: bonds (distance) C4'-P energy: -62.349 bonds (distance) P-C4' energy: -64.381 flat angles C4'-P-C4' energy: -61.708 flat angles P-C4'-P energy: -37.740 tors. eta vs tors. theta energy: -29.480 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: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -684.851437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.851437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.851437 (E_RNA) where: Base-Base interactions energy: -415.108 where: short stacking energy: -198.077 Base-Backbone interact. energy: -1.704 local terms energy: -268.039105 where: bonds (distance) C4'-P energy: -65.609 bonds (distance) P-C4' energy: -58.793 flat angles C4'-P-C4' energy: -63.157 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -34.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -548.034187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.034187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.034187 (E_RNA) where: Base-Base interactions energy: -301.560 where: short stacking energy: -185.539 Base-Backbone interact. energy: -0.147 local terms energy: -246.327332 where: bonds (distance) C4'-P energy: -55.853 bonds (distance) P-C4' energy: -70.269 flat angles C4'-P-C4' energy: -46.554 flat angles P-C4'-P energy: -35.565 tors. eta vs tors. theta energy: -38.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -433.793711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.793711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.793711 (E_RNA) where: Base-Base interactions energy: -212.505 where: short stacking energy: -114.205 Base-Backbone interact. energy: -0.363 local terms energy: -220.925972 where: bonds (distance) C4'-P energy: -57.640 bonds (distance) P-C4' energy: -60.452 flat angles C4'-P-C4' energy: -52.574 flat angles P-C4'-P energy: -29.724 tors. eta vs tors. theta energy: -20.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -383.666647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.666647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.666647 (E_RNA) where: Base-Base interactions energy: -170.586 where: short stacking energy: -109.583 Base-Backbone interact. energy: 2.057 local terms energy: -215.137400 where: bonds (distance) C4'-P energy: -59.171 bonds (distance) P-C4' energy: -58.148 flat angles C4'-P-C4' energy: -51.516 flat angles P-C4'-P energy: -37.440 tors. eta vs tors. theta energy: -8.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -301.717029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.717029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.717029 (E_RNA) where: Base-Base interactions energy: -103.247 where: short stacking energy: -95.899 Base-Backbone interact. energy: -0.484 local terms energy: -197.985790 where: bonds (distance) C4'-P energy: -56.585 bonds (distance) P-C4' energy: -59.658 flat angles C4'-P-C4' energy: -46.181 flat angles P-C4'-P energy: -36.799 tors. eta vs tors. theta energy: 1.237 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: 1, replica: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -974.823678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.823678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.823678 (E_RNA) where: Base-Base interactions energy: -622.420 where: short stacking energy: -297.693 Base-Backbone interact. energy: -0.277 local terms energy: -352.126411 where: bonds (distance) C4'-P energy: -74.916 bonds (distance) P-C4' energy: -69.846 flat angles C4'-P-C4' energy: -70.412 flat angles P-C4'-P energy: -50.855 tors. eta vs tors. theta energy: -86.098 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: 2, replica: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -863.077373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.077373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.077373 (E_RNA) where: Base-Base interactions energy: -552.314 where: short stacking energy: -279.396 Base-Backbone interact. energy: -2.320 local terms energy: -308.442994 where: bonds (distance) C4'-P energy: -69.529 bonds (distance) P-C4' energy: -59.922 flat angles C4'-P-C4' energy: -67.545 flat angles P-C4'-P energy: -45.744 tors. eta vs tors. theta energy: -65.703 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: 8 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -887.825213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.825213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.825213 (E_RNA) where: Base-Base interactions energy: -575.083 where: short stacking energy: -284.896 Base-Backbone interact. energy: -2.757 local terms energy: -309.985474 where: bonds (distance) C4'-P energy: -57.625 bonds (distance) P-C4' energy: -60.141 flat angles C4'-P-C4' energy: -72.055 flat angles P-C4'-P energy: -50.672 tors. eta vs tors. theta energy: -69.493 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: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -741.565000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.565000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.565000 (E_RNA) where: Base-Base interactions energy: -461.423 where: short stacking energy: -242.230 Base-Backbone interact. energy: -1.207 local terms energy: -278.934893 where: bonds (distance) C4'-P energy: -57.634 bonds (distance) P-C4' energy: -62.535 flat angles C4'-P-C4' energy: -69.817 flat angles P-C4'-P energy: -39.210 tors. eta vs tors. theta energy: -49.739 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: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -738.743169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.743169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.743169 (E_RNA) where: Base-Base interactions energy: -429.426 where: short stacking energy: -243.360 Base-Backbone interact. energy: -1.046 local terms energy: -308.271285 where: bonds (distance) C4'-P energy: -72.672 bonds (distance) P-C4' energy: -65.970 flat angles C4'-P-C4' energy: -64.113 flat angles P-C4'-P energy: -47.407 tors. eta vs tors. theta energy: -58.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -527.418960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.418960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.418960 (E_RNA) where: Base-Base interactions energy: -276.411 where: short stacking energy: -164.309 Base-Backbone interact. energy: 2.628 local terms energy: -253.636598 where: bonds (distance) C4'-P energy: -60.634 bonds (distance) P-C4' energy: -67.314 flat angles C4'-P-C4' energy: -65.465 flat angles P-C4'-P energy: -36.236 tors. eta vs tors. theta energy: -23.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -520.225392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.225392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.225392 (E_RNA) where: Base-Base interactions energy: -288.413 where: short stacking energy: -165.268 Base-Backbone interact. energy: 4.880 local terms energy: -236.692180 where: bonds (distance) C4'-P energy: -61.151 bonds (distance) P-C4' energy: -68.659 flat angles C4'-P-C4' energy: -56.810 flat angles P-C4'-P energy: -33.579 tors. eta vs tors. theta energy: -16.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -450.624597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.624597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.624597 (E_RNA) where: Base-Base interactions energy: -235.260 where: short stacking energy: -130.561 Base-Backbone interact. energy: -1.299 local terms energy: -214.065205 where: bonds (distance) C4'-P energy: -45.471 bonds (distance) P-C4' energy: -75.584 flat angles C4'-P-C4' energy: -54.326 flat angles P-C4'-P energy: -26.263 tors. eta vs tors. theta energy: -12.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -386.016925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.016925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.016925 (E_RNA) where: Base-Base interactions energy: -199.629 where: short stacking energy: -121.654 Base-Backbone interact. energy: -0.326 local terms energy: -186.061871 where: bonds (distance) C4'-P energy: -63.965 bonds (distance) P-C4' energy: -57.273 flat angles C4'-P-C4' energy: -38.395 flat angles P-C4'-P energy: -21.580 tors. eta vs tors. theta energy: -4.849 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: 6 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -289.993383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.993383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.993383 (E_RNA) where: Base-Base interactions energy: -85.598 where: short stacking energy: -82.587 Base-Backbone interact. energy: -0.903 local terms energy: -203.491974 where: bonds (distance) C4'-P energy: -56.657 bonds (distance) P-C4' energy: -63.387 flat angles C4'-P-C4' energy: -49.385 flat angles P-C4'-P energy: -34.649 tors. eta vs tors. theta energy: 0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -961.570373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.570373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.570373 (E_RNA) where: Base-Base interactions energy: -622.820 where: short stacking energy: -296.130 Base-Backbone interact. energy: -1.005 local terms energy: -337.746079 where: bonds (distance) C4'-P energy: -70.114 bonds (distance) P-C4' energy: -65.368 flat angles C4'-P-C4' energy: -71.984 flat angles P-C4'-P energy: -52.838 tors. eta vs tors. theta energy: -77.442 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: 8 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -942.652179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.652179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.652179 (E_RNA) where: Base-Base interactions energy: -621.812 where: short stacking energy: -290.890 Base-Backbone interact. energy: -0.806 local terms energy: -320.034090 where: bonds (distance) C4'-P energy: -63.603 bonds (distance) P-C4' energy: -70.103 flat angles C4'-P-C4' energy: -71.557 flat angles P-C4'-P energy: -35.714 tors. eta vs tors. theta energy: -79.056 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: 4 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -817.925726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.925726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.925726 (E_RNA) where: Base-Base interactions energy: -515.077 where: short stacking energy: -260.376 Base-Backbone interact. energy: -1.227 local terms energy: -301.620919 where: bonds (distance) C4'-P energy: -45.460 bonds (distance) P-C4' energy: -64.714 flat angles C4'-P-C4' energy: -76.851 flat angles P-C4'-P energy: -50.375 tors. eta vs tors. theta energy: -64.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -765.769002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.769002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.769002 (E_RNA) where: Base-Base interactions energy: -462.111 where: short stacking energy: -266.323 Base-Backbone interact. energy: -1.028 local terms energy: -302.630125 where: bonds (distance) C4'-P energy: -68.682 bonds (distance) P-C4' energy: -61.184 flat angles C4'-P-C4' energy: -67.068 flat angles P-C4'-P energy: -43.143 tors. eta vs tors. theta energy: -62.553 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: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -699.919282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.919282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.919282 (E_RNA) where: Base-Base interactions energy: -419.978 where: short stacking energy: -218.327 Base-Backbone interact. energy: 2.419 local terms energy: -282.361110 where: bonds (distance) C4'-P energy: -57.831 bonds (distance) P-C4' energy: -66.832 flat angles C4'-P-C4' energy: -64.107 flat angles P-C4'-P energy: -40.566 tors. eta vs tors. theta energy: -53.026 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: 7 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -600.837435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.837435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.837435 (E_RNA) where: Base-Base interactions energy: -347.476 where: short stacking energy: -179.541 Base-Backbone interact. energy: -1.910 local terms energy: -251.451574 where: bonds (distance) C4'-P energy: -63.850 bonds (distance) P-C4' energy: -58.504 flat angles C4'-P-C4' energy: -65.428 flat angles P-C4'-P energy: -37.699 tors. eta vs tors. theta energy: -25.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -495.343725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.343725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.343725 (E_RNA) where: Base-Base interactions energy: -258.702 where: short stacking energy: -145.229 Base-Backbone interact. energy: -0.939 local terms energy: -235.703228 where: bonds (distance) C4'-P energy: -63.496 bonds (distance) P-C4' energy: -70.839 flat angles C4'-P-C4' energy: -56.253 flat angles P-C4'-P energy: -26.514 tors. eta vs tors. theta energy: -18.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -478.322904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.322904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.322904 (E_RNA) where: Base-Base interactions energy: -260.721 where: short stacking energy: -142.615 Base-Backbone interact. energy: -2.107 local terms energy: -215.494378 where: bonds (distance) C4'-P energy: -52.515 bonds (distance) P-C4' energy: -52.110 flat angles C4'-P-C4' energy: -54.721 flat angles P-C4'-P energy: -44.776 tors. eta vs tors. theta energy: -11.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -443.844490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.844490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.844490 (E_RNA) where: Base-Base interactions energy: -255.771 where: short stacking energy: -144.285 Base-Backbone interact. energy: -1.589 local terms energy: -186.485040 where: bonds (distance) C4'-P energy: -45.243 bonds (distance) P-C4' energy: -51.883 flat angles C4'-P-C4' energy: -44.606 flat angles P-C4'-P energy: -24.260 tors. eta vs tors. theta energy: -20.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -302.230576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.230576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.230576 (E_RNA) where: Base-Base interactions energy: -128.878 where: short stacking energy: -86.405 Base-Backbone interact. energy: -0.598 local terms energy: -172.754663 where: bonds (distance) C4'-P energy: -48.289 bonds (distance) P-C4' energy: -56.092 flat angles C4'-P-C4' energy: -49.801 flat angles P-C4'-P energy: -27.079 tors. eta vs tors. theta energy: 8.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1002.848885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.848885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.848885 (E_RNA) where: Base-Base interactions energy: -659.458 where: short stacking energy: -285.571 Base-Backbone interact. energy: -1.497 local terms energy: -341.893692 where: bonds (distance) C4'-P energy: -72.344 bonds (distance) P-C4' energy: -62.354 flat angles C4'-P-C4' energy: -68.631 flat angles P-C4'-P energy: -58.208 tors. eta vs tors. theta energy: -80.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -960.524219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.524219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.524219 (E_RNA) where: Base-Base interactions energy: -613.119 where: short stacking energy: -300.370 Base-Backbone interact. energy: -1.192 local terms energy: -346.213303 where: bonds (distance) C4'-P energy: -74.134 bonds (distance) P-C4' energy: -74.029 flat angles C4'-P-C4' energy: -82.717 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -74.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -859.519687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.519687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.519687 (E_RNA) where: Base-Base interactions energy: -549.752 where: short stacking energy: -271.261 Base-Backbone interact. energy: 0.432 local terms energy: -310.199522 where: bonds (distance) C4'-P energy: -65.135 bonds (distance) P-C4' energy: -62.085 flat angles C4'-P-C4' energy: -71.278 flat angles P-C4'-P energy: -45.786 tors. eta vs tors. theta energy: -65.915 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: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -812.091546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.091546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.091546 (E_RNA) where: Base-Base interactions energy: -507.613 where: short stacking energy: -262.299 Base-Backbone interact. energy: -1.606 local terms energy: -302.872246 where: bonds (distance) C4'-P energy: -71.693 bonds (distance) P-C4' energy: -66.294 flat angles C4'-P-C4' energy: -55.489 flat angles P-C4'-P energy: -48.161 tors. eta vs tors. theta energy: -61.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -688.292573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.292573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.292573 (E_RNA) where: Base-Base interactions energy: -415.320 where: short stacking energy: -219.669 Base-Backbone interact. energy: 2.406 local terms energy: -275.377873 where: bonds (distance) C4'-P energy: -67.013 bonds (distance) P-C4' energy: -62.723 flat angles C4'-P-C4' energy: -63.279 flat angles P-C4'-P energy: -37.053 tors. eta vs tors. theta energy: -45.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -586.834924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.834924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.834924 (E_RNA) where: Base-Base interactions energy: -328.110 where: short stacking energy: -179.458 Base-Backbone interact. energy: -0.997 local terms energy: -257.727538 where: bonds (distance) C4'-P energy: -69.959 bonds (distance) P-C4' energy: -57.903 flat angles C4'-P-C4' energy: -56.355 flat angles P-C4'-P energy: -43.000 tors. eta vs tors. theta energy: -30.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -536.419454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.419454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.419454 (E_RNA) where: Base-Base interactions energy: -315.120 where: short stacking energy: -167.288 Base-Backbone interact. energy: 0.504 local terms energy: -221.803579 where: bonds (distance) C4'-P energy: -58.199 bonds (distance) P-C4' energy: -58.878 flat angles C4'-P-C4' energy: -54.574 flat angles P-C4'-P energy: -21.838 tors. eta vs tors. theta energy: -28.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -468.607951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.607951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.607951 (E_RNA) where: Base-Base interactions energy: -236.135 where: short stacking energy: -138.069 Base-Backbone interact. energy: -0.278 local terms energy: -232.195498 where: bonds (distance) C4'-P energy: -68.821 bonds (distance) P-C4' energy: -64.755 flat angles C4'-P-C4' energy: -58.556 flat angles P-C4'-P energy: -27.792 tors. eta vs tors. theta energy: -12.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -394.820687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.820687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.820687 (E_RNA) where: Base-Base interactions energy: -191.881 where: short stacking energy: -124.147 Base-Backbone interact. energy: 0.147 local terms energy: -203.087128 where: bonds (distance) C4'-P energy: -56.051 bonds (distance) P-C4' energy: -50.625 flat angles C4'-P-C4' energy: -48.646 flat angles P-C4'-P energy: -22.828 tors. eta vs tors. theta energy: -24.937 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: 10, replica: 6 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -311.327130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.327130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.327130 (E_RNA) where: Base-Base interactions energy: -113.429 where: short stacking energy: -80.390 Base-Backbone interact. energy: -0.979 local terms energy: -196.919004 where: bonds (distance) C4'-P energy: -49.366 bonds (distance) P-C4' energy: -68.975 flat angles C4'-P-C4' energy: -59.425 flat angles P-C4'-P energy: -28.399 tors. eta vs tors. theta energy: 9.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1017.483659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.483659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.483659 (E_RNA) where: Base-Base interactions energy: -662.305 where: short stacking energy: -324.799 Base-Backbone interact. energy: -1.675 local terms energy: -353.502934 where: bonds (distance) C4'-P energy: -65.428 bonds (distance) P-C4' energy: -76.599 flat angles C4'-P-C4' energy: -75.455 flat angles P-C4'-P energy: -48.146 tors. eta vs tors. theta energy: -87.875 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: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -946.039249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.039249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.039249 (E_RNA) where: Base-Base interactions energy: -601.347 where: short stacking energy: -282.224 Base-Backbone interact. energy: -1.797 local terms energy: -342.895270 where: bonds (distance) C4'-P energy: -65.138 bonds (distance) P-C4' energy: -78.633 flat angles C4'-P-C4' energy: -77.010 flat angles P-C4'-P energy: -48.041 tors. eta vs tors. theta energy: -74.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -896.370569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.370569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.370569 (E_RNA) where: Base-Base interactions energy: -583.210 where: short stacking energy: -291.463 Base-Backbone interact. energy: -1.134 local terms energy: -312.026693 where: bonds (distance) C4'-P energy: -71.145 bonds (distance) P-C4' energy: -62.407 flat angles C4'-P-C4' energy: -69.511 flat angles P-C4'-P energy: -32.268 tors. eta vs tors. theta energy: -76.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -761.124684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.124684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.124684 (E_RNA) where: Base-Base interactions energy: -473.699 where: short stacking energy: -232.335 Base-Backbone interact. energy: 1.739 local terms energy: -289.164327 where: bonds (distance) C4'-P energy: -58.107 bonds (distance) P-C4' energy: -66.768 flat angles C4'-P-C4' energy: -70.781 flat angles P-C4'-P energy: -45.441 tors. eta vs tors. theta energy: -48.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -701.882765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.882765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.882765 (E_RNA) where: Base-Base interactions energy: -445.370 where: short stacking energy: -230.062 Base-Backbone interact. energy: -0.733 local terms energy: -255.779334 where: bonds (distance) C4'-P energy: -63.608 bonds (distance) P-C4' energy: -51.958 flat angles C4'-P-C4' energy: -67.237 flat angles P-C4'-P energy: -26.386 tors. eta vs tors. theta energy: -46.590 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: 7 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -581.392892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.392892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.392892 (E_RNA) where: Base-Base interactions energy: -330.662 where: short stacking energy: -191.665 Base-Backbone interact. energy: -1.943 local terms energy: -248.788177 where: bonds (distance) C4'-P energy: -59.191 bonds (distance) P-C4' energy: -59.992 flat angles C4'-P-C4' energy: -56.485 flat angles P-C4'-P energy: -34.372 tors. eta vs tors. theta energy: -38.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -577.039326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.039326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.039326 (E_RNA) where: Base-Base interactions energy: -349.896 where: short stacking energy: -163.457 Base-Backbone interact. energy: 0.539 local terms energy: -227.682391 where: bonds (distance) C4'-P energy: -60.051 bonds (distance) P-C4' energy: -61.638 flat angles C4'-P-C4' energy: -61.917 flat angles P-C4'-P energy: -26.373 tors. eta vs tors. theta energy: -17.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -428.592133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.592133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.592133 (E_RNA) where: Base-Base interactions energy: -219.531 where: short stacking energy: -128.086 Base-Backbone interact. energy: 0.982 local terms energy: -210.042847 where: bonds (distance) C4'-P energy: -49.666 bonds (distance) P-C4' energy: -51.013 flat angles C4'-P-C4' energy: -57.833 flat angles P-C4'-P energy: -32.154 tors. eta vs tors. theta energy: -19.377 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: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -412.020879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.020879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.020879 (E_RNA) where: Base-Base interactions energy: -198.892 where: short stacking energy: -112.967 Base-Backbone interact. energy: 0.613 local terms energy: -213.741301 where: bonds (distance) C4'-P energy: -51.343 bonds (distance) P-C4' energy: -56.232 flat angles C4'-P-C4' energy: -50.729 flat angles P-C4'-P energy: -32.855 tors. eta vs tors. theta energy: -22.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -311.682733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.682733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.682733 (E_RNA) where: Base-Base interactions energy: -124.706 where: short stacking energy: -81.234 Base-Backbone interact. energy: 0.899 local terms energy: -187.876377 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -56.848 flat angles C4'-P-C4' energy: -52.074 flat angles P-C4'-P energy: -34.000 tors. eta vs tors. theta energy: 11.294 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: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1008.916884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.916884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.916884 (E_RNA) where: Base-Base interactions energy: -658.618 where: short stacking energy: -300.891 Base-Backbone interact. energy: -0.632 local terms energy: -349.667163 where: bonds (distance) C4'-P energy: -64.734 bonds (distance) P-C4' energy: -74.578 flat angles C4'-P-C4' energy: -78.895 flat angles P-C4'-P energy: -47.882 tors. eta vs tors. theta energy: -83.577 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: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -928.453594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.453594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.453594 (E_RNA) where: Base-Base interactions energy: -599.962 where: short stacking energy: -286.550 Base-Backbone interact. energy: -2.725 local terms energy: -325.767269 where: bonds (distance) C4'-P energy: -66.318 bonds (distance) P-C4' energy: -67.444 flat angles C4'-P-C4' energy: -63.908 flat angles P-C4'-P energy: -47.254 tors. eta vs tors. theta energy: -80.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -831.439851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.439851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.439851 (E_RNA) where: Base-Base interactions energy: -535.922 where: short stacking energy: -266.890 Base-Backbone interact. energy: 1.507 local terms energy: -297.024456 where: bonds (distance) C4'-P energy: -69.088 bonds (distance) P-C4' energy: -64.503 flat angles C4'-P-C4' energy: -61.360 flat angles P-C4'-P energy: -39.254 tors. eta vs tors. theta energy: -62.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -836.960634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.960634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.960634 (E_RNA) where: Base-Base interactions energy: -529.157 where: short stacking energy: -267.593 Base-Backbone interact. energy: -1.290 local terms energy: -306.513987 where: bonds (distance) C4'-P energy: -60.648 bonds (distance) P-C4' energy: -66.810 flat angles C4'-P-C4' energy: -72.708 flat angles P-C4'-P energy: -39.389 tors. eta vs tors. theta energy: -66.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -739.552585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.552585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.552585 (E_RNA) where: Base-Base interactions energy: -457.322 where: short stacking energy: -223.803 Base-Backbone interact. energy: -1.990 local terms energy: -280.240273 where: bonds (distance) C4'-P energy: -65.877 bonds (distance) P-C4' energy: -70.630 flat angles C4'-P-C4' energy: -58.029 flat angles P-C4'-P energy: -45.806 tors. eta vs tors. theta energy: -39.898 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: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -571.670251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.670251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.670251 (E_RNA) where: Base-Base interactions energy: -324.081 where: short stacking energy: -188.010 Base-Backbone interact. energy: -1.187 local terms energy: -246.401490 where: bonds (distance) C4'-P energy: -61.595 bonds (distance) P-C4' energy: -59.411 flat angles C4'-P-C4' energy: -56.093 flat angles P-C4'-P energy: -38.620 tors. eta vs tors. theta energy: -30.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -613.757843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.757843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.757843 (E_RNA) where: Base-Base interactions energy: -352.192 where: short stacking energy: -178.606 Base-Backbone interact. energy: -0.240 local terms energy: -261.326216 where: bonds (distance) C4'-P energy: -63.787 bonds (distance) P-C4' energy: -68.433 flat angles C4'-P-C4' energy: -56.545 flat angles P-C4'-P energy: -46.033 tors. eta vs tors. theta energy: -26.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -440.712562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.712562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.712562 (E_RNA) where: Base-Base interactions energy: -223.165 where: short stacking energy: -139.780 Base-Backbone interact. energy: -1.530 local terms energy: -216.016992 where: bonds (distance) C4'-P energy: -52.267 bonds (distance) P-C4' energy: -65.113 flat angles C4'-P-C4' energy: -47.802 flat angles P-C4'-P energy: -34.216 tors. eta vs tors. theta energy: -16.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -405.080669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.080669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.080669 (E_RNA) where: Base-Base interactions energy: -186.730 where: short stacking energy: -104.429 Base-Backbone interact. energy: -0.528 local terms energy: -217.823172 where: bonds (distance) C4'-P energy: -53.601 bonds (distance) P-C4' energy: -63.998 flat angles C4'-P-C4' energy: -57.663 flat angles P-C4'-P energy: -35.818 tors. eta vs tors. theta energy: -6.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -295.037322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.037322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.037322 (E_RNA) where: Base-Base interactions energy: -121.138 where: short stacking energy: -85.650 Base-Backbone interact. energy: 1.159 local terms energy: -175.058707 where: bonds (distance) C4'-P energy: -45.456 bonds (distance) P-C4' energy: -63.318 flat angles C4'-P-C4' energy: -34.834 flat angles P-C4'-P energy: -34.711 tors. eta vs tors. theta energy: 3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1003.660039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.660039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.660039 (E_RNA) where: Base-Base interactions energy: -659.854 where: short stacking energy: -311.268 Base-Backbone interact. energy: -3.510 local terms energy: -340.296176 where: bonds (distance) C4'-P energy: -66.538 bonds (distance) P-C4' energy: -70.680 flat angles C4'-P-C4' energy: -83.313 flat angles P-C4'-P energy: -40.117 tors. eta vs tors. theta energy: -79.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -931.032384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.032384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.032384 (E_RNA) where: Base-Base interactions energy: -607.941 where: short stacking energy: -279.217 Base-Backbone interact. energy: -1.165 local terms energy: -321.926369 where: bonds (distance) C4'-P energy: -67.286 bonds (distance) P-C4' energy: -70.784 flat angles C4'-P-C4' energy: -71.106 flat angles P-C4'-P energy: -40.826 tors. eta vs tors. theta energy: -71.925 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: 5 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -863.851084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.851084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.851084 (E_RNA) where: Base-Base interactions energy: -542.544 where: short stacking energy: -272.828 Base-Backbone interact. energy: -2.953 local terms energy: -318.353898 where: bonds (distance) C4'-P energy: -60.252 bonds (distance) P-C4' energy: -67.495 flat angles C4'-P-C4' energy: -61.772 flat angles P-C4'-P energy: -49.741 tors. eta vs tors. theta energy: -79.094 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: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -803.533260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.533260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.533260 (E_RNA) where: Base-Base interactions energy: -519.667 where: short stacking energy: -231.534 Base-Backbone interact. energy: -1.551 local terms energy: -282.314433 where: bonds (distance) C4'-P energy: -66.119 bonds (distance) P-C4' energy: -62.855 flat angles C4'-P-C4' energy: -59.772 flat angles P-C4'-P energy: -43.262 tors. eta vs tors. theta energy: -50.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -741.654348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.654348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.654348 (E_RNA) where: Base-Base interactions energy: -460.463 where: short stacking energy: -219.935 Base-Backbone interact. energy: -0.052 local terms energy: -281.138642 where: bonds (distance) C4'-P energy: -59.921 bonds (distance) P-C4' energy: -71.050 flat angles C4'-P-C4' energy: -67.125 flat angles P-C4'-P energy: -42.300 tors. eta vs tors. theta energy: -40.742 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: 3 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -701.989540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.989540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.989540 (E_RNA) where: Base-Base interactions energy: -423.765 where: short stacking energy: -217.160 Base-Backbone interact. energy: -1.568 local terms energy: -276.656101 where: bonds (distance) C4'-P energy: -56.968 bonds (distance) P-C4' energy: -65.386 flat angles C4'-P-C4' energy: -57.988 flat angles P-C4'-P energy: -41.158 tors. eta vs tors. theta energy: -55.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -537.497492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.497492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.497492 (E_RNA) where: Base-Base interactions energy: -299.420 where: short stacking energy: -167.668 Base-Backbone interact. energy: -1.992 local terms energy: -236.085669 where: bonds (distance) C4'-P energy: -48.116 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -66.129 flat angles P-C4'-P energy: -26.248 tors. eta vs tors. theta energy: -26.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -443.611487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.611487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.611487 (E_RNA) where: Base-Base interactions energy: -207.307 where: short stacking energy: -134.899 Base-Backbone interact. energy: 1.231 local terms energy: -237.535916 where: bonds (distance) C4'-P energy: -69.095 bonds (distance) P-C4' energy: -61.454 flat angles C4'-P-C4' energy: -58.604 flat angles P-C4'-P energy: -23.764 tors. eta vs tors. theta energy: -24.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -335.666499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.666499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.666499 (E_RNA) where: Base-Base interactions energy: -132.785 where: short stacking energy: -93.068 Base-Backbone interact. energy: -1.274 local terms energy: -201.606794 where: bonds (distance) C4'-P energy: -63.088 bonds (distance) P-C4' energy: -65.635 flat angles C4'-P-C4' energy: -52.532 flat angles P-C4'-P energy: -32.155 tors. eta vs tors. theta energy: 11.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -274.466588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.466588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.466588 (E_RNA) where: Base-Base interactions energy: -97.077 where: short stacking energy: -79.020 Base-Backbone interact. energy: 0.996 local terms energy: -178.385949 where: bonds (distance) C4'-P energy: -49.473 bonds (distance) P-C4' energy: -62.569 flat angles C4'-P-C4' energy: -46.376 flat angles P-C4'-P energy: -30.201 tors. eta vs tors. theta energy: 10.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1006.746169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.746169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.746169 (E_RNA) where: Base-Base interactions energy: -647.467 where: short stacking energy: -300.144 Base-Backbone interact. energy: -0.444 local terms energy: -358.835087 where: bonds (distance) C4'-P energy: -72.485 bonds (distance) P-C4' energy: -75.215 flat angles C4'-P-C4' energy: -81.068 flat angles P-C4'-P energy: -48.271 tors. eta vs tors. theta energy: -81.796 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: 2 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -947.287146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.287146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.287146 (E_RNA) where: Base-Base interactions energy: -627.489 where: short stacking energy: -285.674 Base-Backbone interact. energy: -1.542 local terms energy: -318.256650 where: bonds (distance) C4'-P energy: -62.962 bonds (distance) P-C4' energy: -62.200 flat angles C4'-P-C4' energy: -70.283 flat angles P-C4'-P energy: -45.682 tors. eta vs tors. theta energy: -77.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -909.843503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.843503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.843503 (E_RNA) where: Base-Base interactions energy: -604.322 where: short stacking energy: -298.597 Base-Backbone interact. energy: -0.768 local terms energy: -304.753806 where: bonds (distance) C4'-P energy: -70.168 bonds (distance) P-C4' energy: -49.865 flat angles C4'-P-C4' energy: -69.113 flat angles P-C4'-P energy: -43.512 tors. eta vs tors. theta energy: -72.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -781.461584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.461584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.461584 (E_RNA) where: Base-Base interactions energy: -485.114 where: short stacking energy: -235.141 Base-Backbone interact. energy: 2.013 local terms energy: -298.360992 where: bonds (distance) C4'-P energy: -71.370 bonds (distance) P-C4' energy: -69.185 flat angles C4'-P-C4' energy: -60.694 flat angles P-C4'-P energy: -42.535 tors. eta vs tors. theta energy: -54.577 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: 1 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -748.450496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.450496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.450496 (E_RNA) where: Base-Base interactions energy: -491.838 where: short stacking energy: -214.542 Base-Backbone interact. energy: -0.281 local terms energy: -256.331496 where: bonds (distance) C4'-P energy: -49.668 bonds (distance) P-C4' energy: -72.069 flat angles C4'-P-C4' energy: -62.093 flat angles P-C4'-P energy: -42.237 tors. eta vs tors. theta energy: -30.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -660.015587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.015587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.015587 (E_RNA) where: Base-Base interactions energy: -396.330 where: short stacking energy: -186.621 Base-Backbone interact. energy: -1.511 local terms energy: -262.174460 where: bonds (distance) C4'-P energy: -55.115 bonds (distance) P-C4' energy: -69.172 flat angles C4'-P-C4' energy: -61.932 flat angles P-C4'-P energy: -45.443 tors. eta vs tors. theta energy: -30.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -600.510530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.510530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.510530 (E_RNA) where: Base-Base interactions energy: -336.786 where: short stacking energy: -181.290 Base-Backbone interact. energy: 0.104 local terms energy: -263.827979 where: bonds (distance) C4'-P energy: -63.954 bonds (distance) P-C4' energy: -66.940 flat angles C4'-P-C4' energy: -53.499 flat angles P-C4'-P energy: -42.961 tors. eta vs tors. theta energy: -36.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -410.444112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.444112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.444112 (E_RNA) where: Base-Base interactions energy: -216.075 where: short stacking energy: -123.985 Base-Backbone interact. energy: -0.093 local terms energy: -194.275874 where: bonds (distance) C4'-P energy: -44.376 bonds (distance) P-C4' energy: -62.295 flat angles C4'-P-C4' energy: -52.331 flat angles P-C4'-P energy: -31.587 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -332.882990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.882990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.882990 (E_RNA) where: Base-Base interactions energy: -131.419 where: short stacking energy: -96.475 Base-Backbone interact. energy: 1.199 local terms energy: -202.662959 where: bonds (distance) C4'-P energy: -56.830 bonds (distance) P-C4' energy: -52.074 flat angles C4'-P-C4' energy: -56.531 flat angles P-C4'-P energy: -38.100 tors. eta vs tors. theta energy: 0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -294.597970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.597970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.597970 (E_RNA) where: Base-Base interactions energy: -104.899 where: short stacking energy: -82.445 Base-Backbone interact. energy: 6.021 local terms energy: -195.719981 where: bonds (distance) C4'-P energy: -56.604 bonds (distance) P-C4' energy: -47.470 flat angles C4'-P-C4' energy: -54.252 flat angles P-C4'-P energy: -33.094 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1028.083858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.083858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.083858 (E_RNA) where: Base-Base interactions energy: -690.238 where: short stacking energy: -308.370 Base-Backbone interact. energy: -1.003 local terms energy: -336.842818 where: bonds (distance) C4'-P energy: -71.052 bonds (distance) P-C4' energy: -76.938 flat angles C4'-P-C4' energy: -66.550 flat angles P-C4'-P energy: -34.844 tors. eta vs tors. theta energy: -87.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -964.584541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.584541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.584541 (E_RNA) where: Base-Base interactions energy: -628.431 where: short stacking energy: -279.753 Base-Backbone interact. energy: -0.269 local terms energy: -335.885103 where: bonds (distance) C4'-P energy: -69.413 bonds (distance) P-C4' energy: -67.623 flat angles C4'-P-C4' energy: -72.169 flat angles P-C4'-P energy: -45.401 tors. eta vs tors. theta energy: -81.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -893.436614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.436614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.436614 (E_RNA) where: Base-Base interactions energy: -587.599 where: short stacking energy: -271.813 Base-Backbone interact. energy: -2.277 local terms energy: -303.560314 where: bonds (distance) C4'-P energy: -65.723 bonds (distance) P-C4' energy: -72.939 flat angles C4'-P-C4' energy: -63.922 flat angles P-C4'-P energy: -35.374 tors. eta vs tors. theta energy: -65.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -782.490707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.490707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.490707 (E_RNA) where: Base-Base interactions energy: -491.031 where: short stacking energy: -239.761 Base-Backbone interact. energy: -0.488 local terms energy: -290.971808 where: bonds (distance) C4'-P energy: -67.002 bonds (distance) P-C4' energy: -59.708 flat angles C4'-P-C4' energy: -71.787 flat angles P-C4'-P energy: -52.469 tors. eta vs tors. theta energy: -40.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -728.199875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.199875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.199875 (E_RNA) where: Base-Base interactions energy: -451.116 where: short stacking energy: -229.581 Base-Backbone interact. energy: -1.291 local terms energy: -275.793107 where: bonds (distance) C4'-P energy: -56.170 bonds (distance) P-C4' energy: -55.154 flat angles C4'-P-C4' energy: -67.163 flat angles P-C4'-P energy: -43.487 tors. eta vs tors. theta energy: -53.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -601.070186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.070186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.070186 (E_RNA) where: Base-Base interactions energy: -351.070 where: short stacking energy: -166.199 Base-Backbone interact. energy: 0.055 local terms energy: -250.055023 where: bonds (distance) C4'-P energy: -63.134 bonds (distance) P-C4' energy: -70.013 flat angles C4'-P-C4' energy: -62.745 flat angles P-C4'-P energy: -30.912 tors. eta vs tors. theta energy: -23.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -630.304963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.304963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.304963 (E_RNA) where: Base-Base interactions energy: -376.614 where: short stacking energy: -195.227 Base-Backbone interact. energy: 1.875 local terms energy: -255.565657 where: bonds (distance) C4'-P energy: -53.517 bonds (distance) P-C4' energy: -55.657 flat angles C4'-P-C4' energy: -57.987 flat angles P-C4'-P energy: -41.481 tors. eta vs tors. theta energy: -46.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -395.241561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.241561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.241561 (E_RNA) where: Base-Base interactions energy: -167.905 where: short stacking energy: -109.823 Base-Backbone interact. energy: -2.054 local terms energy: -225.283324 where: bonds (distance) C4'-P energy: -60.853 bonds (distance) P-C4' energy: -60.092 flat angles C4'-P-C4' energy: -68.703 flat angles P-C4'-P energy: -35.042 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: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -462.340954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.340954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.340954 (E_RNA) where: Base-Base interactions energy: -252.752 where: short stacking energy: -140.245 Base-Backbone interact. energy: -0.426 local terms energy: -209.163460 where: bonds (distance) C4'-P energy: -51.780 bonds (distance) P-C4' energy: -69.772 flat angles C4'-P-C4' energy: -48.341 flat angles P-C4'-P energy: -33.801 tors. eta vs tors. theta energy: -5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -298.565113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.565113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.565113 (E_RNA) where: Base-Base interactions energy: -129.958 where: short stacking energy: -99.974 Base-Backbone interact. energy: -1.034 local terms energy: -167.572911 where: bonds (distance) C4'-P energy: -53.825 bonds (distance) P-C4' energy: -53.651 flat angles C4'-P-C4' energy: -44.806 flat angles P-C4'-P energy: -27.514 tors. eta vs tors. theta energy: 12.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1029.830694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.830694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.830694 (E_RNA) where: Base-Base interactions energy: -655.983 where: short stacking energy: -304.928 Base-Backbone interact. energy: -1.887 local terms energy: -371.960396 where: bonds (distance) C4'-P energy: -69.312 bonds (distance) P-C4' energy: -81.142 flat angles C4'-P-C4' energy: -79.103 flat angles P-C4'-P energy: -54.381 tors. eta vs tors. theta energy: -88.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -990.276590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.276590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.276590 (E_RNA) where: Base-Base interactions energy: -640.567 where: short stacking energy: -293.359 Base-Backbone interact. energy: -4.127 local terms energy: -345.583048 where: bonds (distance) C4'-P energy: -76.529 bonds (distance) P-C4' energy: -71.290 flat angles C4'-P-C4' energy: -76.898 flat angles P-C4'-P energy: -44.833 tors. eta vs tors. theta energy: -76.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -921.584338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.584338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.584338 (E_RNA) where: Base-Base interactions energy: -600.218 where: short stacking energy: -282.456 Base-Backbone interact. energy: -0.788 local terms energy: -320.578902 where: bonds (distance) C4'-P energy: -65.647 bonds (distance) P-C4' energy: -73.201 flat angles C4'-P-C4' energy: -74.407 flat angles P-C4'-P energy: -33.583 tors. eta vs tors. theta energy: -73.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -800.301013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.301013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.301013 (E_RNA) where: Base-Base interactions energy: -511.229 where: short stacking energy: -224.705 Base-Backbone interact. energy: 2.385 local terms energy: -291.456717 where: bonds (distance) C4'-P energy: -64.800 bonds (distance) P-C4' energy: -70.672 flat angles C4'-P-C4' energy: -71.011 flat angles P-C4'-P energy: -41.375 tors. eta vs tors. theta energy: -43.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -686.623585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.623585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.623585 (E_RNA) where: Base-Base interactions energy: -410.237 where: short stacking energy: -215.210 Base-Backbone interact. energy: 2.244 local terms energy: -278.630804 where: bonds (distance) C4'-P energy: -54.602 bonds (distance) P-C4' energy: -68.190 flat angles C4'-P-C4' energy: -69.534 flat angles P-C4'-P energy: -35.337 tors. eta vs tors. theta energy: -50.969 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: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -713.001604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.001604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.001604 (E_RNA) where: Base-Base interactions energy: -436.788 where: short stacking energy: -225.003 Base-Backbone interact. energy: -0.855 local terms energy: -275.358236 where: bonds (distance) C4'-P energy: -74.476 bonds (distance) P-C4' energy: -53.964 flat angles C4'-P-C4' energy: -66.384 flat angles P-C4'-P energy: -47.329 tors. eta vs tors. theta energy: -33.205 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: 3 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -642.453680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.453680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.453680 (E_RNA) where: Base-Base interactions energy: -398.081 where: short stacking energy: -204.739 Base-Backbone interact. energy: -2.414 local terms energy: -241.958998 where: bonds (distance) C4'-P energy: -45.485 bonds (distance) P-C4' energy: -57.569 flat angles C4'-P-C4' energy: -56.118 flat angles P-C4'-P energy: -33.020 tors. eta vs tors. theta energy: -49.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -402.029777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.029777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.029777 (E_RNA) where: Base-Base interactions energy: -199.775 where: short stacking energy: -114.467 Base-Backbone interact. energy: 0.468 local terms energy: -202.722831 where: bonds (distance) C4'-P energy: -65.726 bonds (distance) P-C4' energy: -56.928 flat angles C4'-P-C4' energy: -50.821 flat angles P-C4'-P energy: -33.227 tors. eta vs tors. theta energy: 3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -390.420059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.420059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.420059 (E_RNA) where: Base-Base interactions energy: -192.633 where: short stacking energy: -123.037 Base-Backbone interact. energy: -1.097 local terms energy: -196.689522 where: bonds (distance) C4'-P energy: -55.503 bonds (distance) P-C4' energy: -61.022 flat angles C4'-P-C4' energy: -57.346 flat angles P-C4'-P energy: -20.664 tors. eta vs tors. theta energy: -2.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -314.800509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.800509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.800509 (E_RNA) where: Base-Base interactions energy: -121.370 where: short stacking energy: -80.530 Base-Backbone interact. energy: 0.424 local terms energy: -193.854424 where: bonds (distance) C4'-P energy: -55.884 bonds (distance) P-C4' energy: -54.425 flat angles C4'-P-C4' energy: -55.050 flat angles P-C4'-P energy: -38.972 tors. eta vs tors. theta energy: 10.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1057.986933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.986933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.986933 (E_RNA) where: Base-Base interactions energy: -703.928 where: short stacking energy: -329.338 Base-Backbone interact. energy: -1.846 local terms energy: -352.213185 where: bonds (distance) C4'-P energy: -71.595 bonds (distance) P-C4' energy: -66.522 flat angles C4'-P-C4' energy: -81.950 flat angles P-C4'-P energy: -55.243 tors. eta vs tors. theta energy: -76.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -996.769616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.769616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.769616 (E_RNA) where: Base-Base interactions energy: -664.978 where: short stacking energy: -303.487 Base-Backbone interact. energy: 2.695 local terms energy: -334.486486 where: bonds (distance) C4'-P energy: -68.123 bonds (distance) P-C4' energy: -68.062 flat angles C4'-P-C4' energy: -76.771 flat angles P-C4'-P energy: -47.995 tors. eta vs tors. theta energy: -73.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -921.222028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.222028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.222028 (E_RNA) where: Base-Base interactions energy: -583.001 where: short stacking energy: -263.409 Base-Backbone interact. energy: -0.039 local terms energy: -338.182006 where: bonds (distance) C4'-P energy: -72.738 bonds (distance) P-C4' energy: -71.332 flat angles C4'-P-C4' energy: -70.892 flat angles P-C4'-P energy: -46.471 tors. eta vs tors. theta energy: -76.749 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: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -752.944067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.944067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.944067 (E_RNA) where: Base-Base interactions energy: -462.117 where: short stacking energy: -242.393 Base-Backbone interact. energy: -0.447 local terms energy: -290.380607 where: bonds (distance) C4'-P energy: -56.457 bonds (distance) P-C4' energy: -74.985 flat angles C4'-P-C4' energy: -60.994 flat angles P-C4'-P energy: -36.120 tors. eta vs tors. theta energy: -61.824 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: 23 Temperature: 1.100000 Total energy: -778.230258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.230258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.230258 (E_RNA) where: Base-Base interactions energy: -501.590 where: short stacking energy: -223.261 Base-Backbone interact. energy: -1.770 local terms energy: -274.869878 where: bonds (distance) C4'-P energy: -69.617 bonds (distance) P-C4' energy: -65.102 flat angles C4'-P-C4' energy: -64.727 flat angles P-C4'-P energy: -43.536 tors. eta vs tors. theta energy: -31.888 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: 3 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -680.251051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.251051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.251051 (E_RNA) where: Base-Base interactions energy: -390.945 where: short stacking energy: -230.018 Base-Backbone interact. energy: -1.096 local terms energy: -288.209898 where: bonds (distance) C4'-P energy: -70.144 bonds (distance) P-C4' energy: -61.670 flat angles C4'-P-C4' energy: -58.940 flat angles P-C4'-P energy: -47.389 tors. eta vs tors. theta energy: -50.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -625.138055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.138055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.138055 (E_RNA) where: Base-Base interactions energy: -390.236 where: short stacking energy: -208.938 Base-Backbone interact. energy: 1.701 local terms energy: -236.603055 where: bonds (distance) C4'-P energy: -57.127 bonds (distance) P-C4' energy: -46.864 flat angles C4'-P-C4' energy: -51.048 flat angles P-C4'-P energy: -42.009 tors. eta vs tors. theta energy: -39.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -464.702849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.702849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.702849 (E_RNA) where: Base-Base interactions energy: -234.350 where: short stacking energy: -115.661 Base-Backbone interact. energy: 2.642 local terms energy: -232.994827 where: bonds (distance) C4'-P energy: -63.335 bonds (distance) P-C4' energy: -65.643 flat angles C4'-P-C4' energy: -53.332 flat angles P-C4'-P energy: -30.358 tors. eta vs tors. theta energy: -20.327 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: 23 Temperature: 1.300000 Total energy: -409.376856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.376856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.376856 (E_RNA) where: Base-Base interactions energy: -198.014 where: short stacking energy: -126.299 Base-Backbone interact. energy: -1.072 local terms energy: -210.290497 where: bonds (distance) C4'-P energy: -51.956 bonds (distance) P-C4' energy: -44.378 flat angles C4'-P-C4' energy: -62.819 flat angles P-C4'-P energy: -30.432 tors. eta vs tors. theta energy: -20.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -298.814809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.814809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.814809 (E_RNA) where: Base-Base interactions energy: -101.852 where: short stacking energy: -72.349 Base-Backbone interact. energy: 0.561 local terms energy: -197.524139 where: bonds (distance) C4'-P energy: -58.459 bonds (distance) P-C4' energy: -66.721 flat angles C4'-P-C4' energy: -50.955 flat angles P-C4'-P energy: -27.420 tors. eta vs tors. theta energy: 6.030 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: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1053.338399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.338399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.338399 (E_RNA) where: Base-Base interactions energy: -685.567 where: short stacking energy: -309.797 Base-Backbone interact. energy: -2.649 local terms energy: -365.122437 where: bonds (distance) C4'-P energy: -69.677 bonds (distance) P-C4' energy: -77.421 flat angles C4'-P-C4' energy: -69.392 flat angles P-C4'-P energy: -59.037 tors. eta vs tors. theta energy: -89.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -992.261372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.261372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.261372 (E_RNA) where: Base-Base interactions energy: -654.725 where: short stacking energy: -277.970 Base-Backbone interact. energy: 0.113 local terms energy: -337.648868 where: bonds (distance) C4'-P energy: -71.500 bonds (distance) P-C4' energy: -67.046 flat angles C4'-P-C4' energy: -77.185 flat angles P-C4'-P energy: -44.594 tors. eta vs tors. theta energy: -77.324 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: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -908.068754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.068754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.068754 (E_RNA) where: Base-Base interactions energy: -622.423 where: short stacking energy: -274.228 Base-Backbone interact. energy: -1.607 local terms energy: -284.038726 where: bonds (distance) C4'-P energy: -68.777 bonds (distance) P-C4' energy: -49.550 flat angles C4'-P-C4' energy: -64.877 flat angles P-C4'-P energy: -40.029 tors. eta vs tors. theta energy: -60.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -755.461459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.461459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.461459 (E_RNA) where: Base-Base interactions energy: -460.586 where: short stacking energy: -230.025 Base-Backbone interact. energy: -2.101 local terms energy: -292.774706 where: bonds (distance) C4'-P energy: -64.389 bonds (distance) P-C4' energy: -75.089 flat angles C4'-P-C4' energy: -63.065 flat angles P-C4'-P energy: -41.618 tors. eta vs tors. theta energy: -48.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -784.090552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.090552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.090552 (E_RNA) where: Base-Base interactions energy: -521.900 where: short stacking energy: -226.991 Base-Backbone interact. energy: -2.082 local terms energy: -260.108637 where: bonds (distance) C4'-P energy: -66.509 bonds (distance) P-C4' energy: -55.542 flat angles C4'-P-C4' energy: -57.513 flat angles P-C4'-P energy: -37.397 tors. eta vs tors. theta energy: -43.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -677.471526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.471526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.471526 (E_RNA) where: Base-Base interactions energy: -411.761 where: short stacking energy: -218.829 Base-Backbone interact. energy: -0.765 local terms energy: -264.945449 where: bonds (distance) C4'-P energy: -58.123 bonds (distance) P-C4' energy: -62.300 flat angles C4'-P-C4' energy: -62.936 flat angles P-C4'-P energy: -37.208 tors. eta vs tors. theta energy: -44.378 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: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -591.363899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.363899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.363899 (E_RNA) where: Base-Base interactions energy: -345.233 where: short stacking energy: -194.711 Base-Backbone interact. energy: 1.194 local terms energy: -247.324798 where: bonds (distance) C4'-P energy: -60.692 bonds (distance) P-C4' energy: -57.266 flat angles C4'-P-C4' energy: -49.723 flat angles P-C4'-P energy: -36.965 tors. eta vs tors. theta energy: -42.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -485.449059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.449059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.449059 (E_RNA) where: Base-Base interactions energy: -252.088 where: short stacking energy: -141.631 Base-Backbone interact. energy: 3.928 local terms energy: -237.289193 where: bonds (distance) C4'-P energy: -65.230 bonds (distance) P-C4' energy: -72.194 flat angles C4'-P-C4' energy: -68.685 flat angles P-C4'-P energy: -18.291 tors. eta vs tors. theta energy: -12.890 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: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -337.711719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.711719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.711719 (E_RNA) where: Base-Base interactions energy: -124.947 where: short stacking energy: -105.243 Base-Backbone interact. energy: -1.463 local terms energy: -211.302396 where: bonds (distance) C4'-P energy: -60.128 bonds (distance) P-C4' energy: -58.462 flat angles C4'-P-C4' energy: -52.536 flat angles P-C4'-P energy: -35.089 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -311.839694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.839694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.839694 (E_RNA) where: Base-Base interactions energy: -114.014 where: short stacking energy: -90.777 Base-Backbone interact. energy: -1.357 local terms energy: -196.468600 where: bonds (distance) C4'-P energy: -64.166 bonds (distance) P-C4' energy: -63.912 flat angles C4'-P-C4' energy: -45.437 flat angles P-C4'-P energy: -32.033 tors. eta vs tors. theta energy: 9.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1060.803329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.803329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.803329 (E_RNA) where: Base-Base interactions energy: -702.663 where: short stacking energy: -339.030 Base-Backbone interact. energy: 0.375 local terms energy: -358.514999 where: bonds (distance) C4'-P energy: -64.613 bonds (distance) P-C4' energy: -82.062 flat angles C4'-P-C4' energy: -76.530 flat angles P-C4'-P energy: -50.374 tors. eta vs tors. theta energy: -84.936 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: 8 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -983.140565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.140565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.140565 (E_RNA) where: Base-Base interactions energy: -650.122 where: short stacking energy: -302.351 Base-Backbone interact. energy: -1.906 local terms energy: -331.112414 where: bonds (distance) C4'-P energy: -62.921 bonds (distance) P-C4' energy: -74.562 flat angles C4'-P-C4' energy: -72.151 flat angles P-C4'-P energy: -40.599 tors. eta vs tors. theta energy: -80.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -917.953284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.953284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.953284 (E_RNA) where: Base-Base interactions energy: -619.651 where: short stacking energy: -291.306 Base-Backbone interact. energy: -1.030 local terms energy: -297.272393 where: bonds (distance) C4'-P energy: -58.004 bonds (distance) P-C4' energy: -63.741 flat angles C4'-P-C4' energy: -58.222 flat angles P-C4'-P energy: -44.362 tors. eta vs tors. theta energy: -72.943 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: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -800.369432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.369432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.369432 (E_RNA) where: Base-Base interactions energy: -527.591 where: short stacking energy: -230.622 Base-Backbone interact. energy: -0.780 local terms energy: -271.997982 where: bonds (distance) C4'-P energy: -68.209 bonds (distance) P-C4' energy: -64.452 flat angles C4'-P-C4' energy: -57.810 flat angles P-C4'-P energy: -36.502 tors. eta vs tors. theta energy: -45.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -724.153354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.153354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.153354 (E_RNA) where: Base-Base interactions energy: -443.943 where: short stacking energy: -219.851 Base-Backbone interact. energy: -1.530 local terms energy: -278.679788 where: bonds (distance) C4'-P energy: -54.089 bonds (distance) P-C4' energy: -61.381 flat angles C4'-P-C4' energy: -63.374 flat angles P-C4'-P energy: -47.797 tors. eta vs tors. theta energy: -52.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -667.929124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.929124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.929124 (E_RNA) where: Base-Base interactions energy: -403.149 where: short stacking energy: -207.639 Base-Backbone interact. energy: -1.463 local terms energy: -263.316702 where: bonds (distance) C4'-P energy: -59.522 bonds (distance) P-C4' energy: -59.264 flat angles C4'-P-C4' energy: -55.527 flat angles P-C4'-P energy: -35.892 tors. eta vs tors. theta energy: -53.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -714.242107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.242107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.242107 (E_RNA) where: Base-Base interactions energy: -457.411 where: short stacking energy: -210.939 Base-Backbone interact. energy: -0.263 local terms energy: -256.567919 where: bonds (distance) C4'-P energy: -56.352 bonds (distance) P-C4' energy: -60.857 flat angles C4'-P-C4' energy: -66.208 flat angles P-C4'-P energy: -36.378 tors. eta vs tors. theta energy: -36.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -459.926592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.926592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.926592 (E_RNA) where: Base-Base interactions energy: -258.640 where: short stacking energy: -138.477 Base-Backbone interact. energy: -1.202 local terms energy: -200.084778 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -62.107 flat angles C4'-P-C4' energy: -48.382 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -22.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -331.737172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.737172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.737172 (E_RNA) where: Base-Base interactions energy: -126.394 where: short stacking energy: -103.767 Base-Backbone interact. energy: -0.309 local terms energy: -205.033971 where: bonds (distance) C4'-P energy: -49.466 bonds (distance) P-C4' energy: -58.392 flat angles C4'-P-C4' energy: -52.967 flat angles P-C4'-P energy: -37.394 tors. eta vs tors. theta energy: -6.815 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: 6 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -341.841394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.841394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.841394 (E_RNA) where: Base-Base interactions energy: -144.363 where: short stacking energy: -97.117 Base-Backbone interact. energy: 1.978 local terms energy: -199.456807 where: bonds (distance) C4'-P energy: -50.221 bonds (distance) P-C4' energy: -67.747 flat angles C4'-P-C4' energy: -46.848 flat angles P-C4'-P energy: -30.838 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: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1040.646545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.646545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.646545 (E_RNA) where: Base-Base interactions energy: -699.108 where: short stacking energy: -325.898 Base-Backbone interact. energy: -3.808 local terms energy: -337.730081 where: bonds (distance) C4'-P energy: -66.958 bonds (distance) P-C4' energy: -67.010 flat angles C4'-P-C4' energy: -77.363 flat angles P-C4'-P energy: -43.556 tors. eta vs tors. theta energy: -82.843 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: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -996.155376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.155376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.155376 (E_RNA) where: Base-Base interactions energy: -666.242 where: short stacking energy: -299.006 Base-Backbone interact. energy: -1.428 local terms energy: -328.485564 where: bonds (distance) C4'-P energy: -73.629 bonds (distance) P-C4' energy: -62.491 flat angles C4'-P-C4' energy: -69.023 flat angles P-C4'-P energy: -44.142 tors. eta vs tors. theta energy: -79.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -934.537448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.537448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.537448 (E_RNA) where: Base-Base interactions energy: -617.314 where: short stacking energy: -308.070 Base-Backbone interact. energy: 0.793 local terms energy: -318.015840 where: bonds (distance) C4'-P energy: -69.182 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -73.677 flat angles P-C4'-P energy: -35.855 tors. eta vs tors. theta energy: -78.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -820.648470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.648470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.648470 (E_RNA) where: Base-Base interactions energy: -546.581 where: short stacking energy: -249.293 Base-Backbone interact. energy: 3.148 local terms energy: -277.215795 where: bonds (distance) C4'-P energy: -61.351 bonds (distance) P-C4' energy: -72.849 flat angles C4'-P-C4' energy: -53.254 flat angles P-C4'-P energy: -41.608 tors. eta vs tors. theta energy: -48.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -672.614944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.614944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.614944 (E_RNA) where: Base-Base interactions energy: -379.540 where: short stacking energy: -220.992 Base-Backbone interact. energy: -0.027 local terms energy: -293.048710 where: bonds (distance) C4'-P energy: -61.830 bonds (distance) P-C4' energy: -79.746 flat angles C4'-P-C4' energy: -57.708 flat angles P-C4'-P energy: -39.092 tors. eta vs tors. theta energy: -54.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -704.669703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.669703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.669703 (E_RNA) where: Base-Base interactions energy: -433.372 where: short stacking energy: -220.709 Base-Backbone interact. energy: 1.849 local terms energy: -273.146284 where: bonds (distance) C4'-P energy: -58.061 bonds (distance) P-C4' energy: -65.405 flat angles C4'-P-C4' energy: -60.040 flat angles P-C4'-P energy: -35.645 tors. eta vs tors. theta energy: -53.995 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: 3 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -754.514830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.514830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.514830 (E_RNA) where: Base-Base interactions energy: -472.122 where: short stacking energy: -215.077 Base-Backbone interact. energy: 0.145 local terms energy: -282.537818 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -60.594 flat angles C4'-P-C4' energy: -72.725 flat angles P-C4'-P energy: -39.886 tors. eta vs tors. theta energy: -56.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -465.019358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.019358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.019358 (E_RNA) where: Base-Base interactions energy: -230.845 where: short stacking energy: -116.301 Base-Backbone interact. energy: -1.884 local terms energy: -232.290525 where: bonds (distance) C4'-P energy: -56.544 bonds (distance) P-C4' energy: -70.632 flat angles C4'-P-C4' energy: -64.006 flat angles P-C4'-P energy: -21.567 tors. eta vs tors. theta energy: -19.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -362.334379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.334379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.334379 (E_RNA) where: Base-Base interactions energy: -164.452 where: short stacking energy: -111.279 Base-Backbone interact. energy: 2.719 local terms energy: -200.601139 where: bonds (distance) C4'-P energy: -61.578 bonds (distance) P-C4' energy: -54.453 flat angles C4'-P-C4' energy: -51.293 flat angles P-C4'-P energy: -33.665 tors. eta vs tors. theta energy: 0.388 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: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -290.360706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.360706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.360706 (E_RNA) where: Base-Base interactions energy: -94.170 where: short stacking energy: -79.678 Base-Backbone interact. energy: -0.344 local terms energy: -195.847163 where: bonds (distance) C4'-P energy: -60.491 bonds (distance) P-C4' energy: -56.376 flat angles C4'-P-C4' energy: -44.206 flat angles P-C4'-P energy: -39.981 tors. eta vs tors. theta energy: 5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1069.752717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.752717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.752717 (E_RNA) where: Base-Base interactions energy: -707.547 where: short stacking energy: -335.089 Base-Backbone interact. energy: -0.442 local terms energy: -361.764237 where: bonds (distance) C4'-P energy: -67.474 bonds (distance) P-C4' energy: -69.256 flat angles C4'-P-C4' energy: -79.860 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: -99.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -981.897095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.897095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.897095 (E_RNA) where: Base-Base interactions energy: -647.097 where: short stacking energy: -294.411 Base-Backbone interact. energy: -2.650 local terms energy: -332.150237 where: bonds (distance) C4'-P energy: -67.139 bonds (distance) P-C4' energy: -71.390 flat angles C4'-P-C4' energy: -82.153 flat angles P-C4'-P energy: -36.190 tors. eta vs tors. theta energy: -75.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -946.470704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.470704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.470704 (E_RNA) where: Base-Base interactions energy: -602.169 where: short stacking energy: -289.328 Base-Backbone interact. energy: 0.763 local terms energy: -345.064192 where: bonds (distance) C4'-P energy: -71.966 bonds (distance) P-C4' energy: -70.276 flat angles C4'-P-C4' energy: -69.156 flat angles P-C4'-P energy: -48.577 tors. eta vs tors. theta energy: -85.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -827.606881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.606881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.606881 (E_RNA) where: Base-Base interactions energy: -547.521 where: short stacking energy: -245.286 Base-Backbone interact. energy: 0.231 local terms energy: -280.317353 where: bonds (distance) C4'-P energy: -66.183 bonds (distance) P-C4' energy: -56.095 flat angles C4'-P-C4' energy: -63.472 flat angles P-C4'-P energy: -43.581 tors. eta vs tors. theta energy: -50.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -717.768495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.768495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.768495 (E_RNA) where: Base-Base interactions energy: -432.921 where: short stacking energy: -214.867 Base-Backbone interact. energy: 0.678 local terms energy: -285.525624 where: bonds (distance) C4'-P energy: -54.360 bonds (distance) P-C4' energy: -72.071 flat angles C4'-P-C4' energy: -54.356 flat angles P-C4'-P energy: -46.401 tors. eta vs tors. theta energy: -58.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -768.520911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.520911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.520911 (E_RNA) where: Base-Base interactions energy: -467.672 where: short stacking energy: -227.278 Base-Backbone interact. energy: -2.399 local terms energy: -298.450411 where: bonds (distance) C4'-P energy: -67.794 bonds (distance) P-C4' energy: -62.926 flat angles C4'-P-C4' energy: -73.408 flat angles P-C4'-P energy: -41.642 tors. eta vs tors. theta energy: -52.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -575.810322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.810322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.810322 (E_RNA) where: Base-Base interactions energy: -334.959 where: short stacking energy: -169.127 Base-Backbone interact. energy: 1.016 local terms energy: -241.867823 where: bonds (distance) C4'-P energy: -64.566 bonds (distance) P-C4' energy: -59.840 flat angles C4'-P-C4' energy: -54.986 flat angles P-C4'-P energy: -27.914 tors. eta vs tors. theta energy: -34.562 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: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -454.346666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.346666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.346666 (E_RNA) where: Base-Base interactions energy: -233.032 where: short stacking energy: -134.347 Base-Backbone interact. energy: -1.454 local terms energy: -219.860653 where: bonds (distance) C4'-P energy: -54.180 bonds (distance) P-C4' energy: -59.694 flat angles C4'-P-C4' energy: -52.261 flat angles P-C4'-P energy: -39.044 tors. eta vs tors. theta energy: -14.682 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: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -368.160044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.160044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.160044 (E_RNA) where: Base-Base interactions energy: -179.045 where: short stacking energy: -102.267 Base-Backbone interact. energy: 7.240 local terms energy: -196.355485 where: bonds (distance) C4'-P energy: -47.922 bonds (distance) P-C4' energy: -71.701 flat angles C4'-P-C4' energy: -56.552 flat angles P-C4'-P energy: -28.267 tors. eta vs tors. theta energy: 8.086 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: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -305.718647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.718647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.718647 (E_RNA) where: Base-Base interactions energy: -103.593 where: short stacking energy: -97.322 Base-Backbone interact. energy: 2.061 local terms energy: -204.186762 where: bonds (distance) C4'-P energy: -52.751 bonds (distance) P-C4' energy: -53.359 flat angles C4'-P-C4' energy: -61.413 flat angles P-C4'-P energy: -27.408 tors. eta vs tors. theta energy: -9.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1075.960233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.960233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.960233 (E_RNA) where: Base-Base interactions energy: -712.836 where: short stacking energy: -331.719 Base-Backbone interact. energy: -1.757 local terms energy: -361.366548 where: bonds (distance) C4'-P energy: -55.908 bonds (distance) P-C4' energy: -73.310 flat angles C4'-P-C4' energy: -84.277 flat angles P-C4'-P energy: -55.051 tors. eta vs tors. theta energy: -92.821 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: 2, replica: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -983.983892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.983892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.983892 (E_RNA) where: Base-Base interactions energy: -656.701 where: short stacking energy: -268.431 Base-Backbone interact. energy: -0.591 local terms energy: -326.692137 where: bonds (distance) C4'-P energy: -75.610 bonds (distance) P-C4' energy: -72.455 flat angles C4'-P-C4' energy: -68.099 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -67.612 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: 5 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -914.645660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.645660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.645660 (E_RNA) where: Base-Base interactions energy: -597.203 where: short stacking energy: -306.355 Base-Backbone interact. energy: -1.299 local terms energy: -316.143306 where: bonds (distance) C4'-P energy: -65.901 bonds (distance) P-C4' energy: -63.744 flat angles C4'-P-C4' energy: -67.006 flat angles P-C4'-P energy: -43.800 tors. eta vs tors. theta energy: -75.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -837.780734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.780734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.780734 (E_RNA) where: Base-Base interactions energy: -542.951 where: short stacking energy: -242.627 Base-Backbone interact. energy: 0.425 local terms energy: -295.254715 where: bonds (distance) C4'-P energy: -62.263 bonds (distance) P-C4' energy: -69.794 flat angles C4'-P-C4' energy: -64.489 flat angles P-C4'-P energy: -47.965 tors. eta vs tors. theta energy: -50.744 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: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -820.693154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.693154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.693154 (E_RNA) where: Base-Base interactions energy: -517.834 where: short stacking energy: -266.268 Base-Backbone interact. energy: 0.357 local terms energy: -303.216687 where: bonds (distance) C4'-P energy: -63.975 bonds (distance) P-C4' energy: -51.134 flat angles C4'-P-C4' energy: -73.027 flat angles P-C4'-P energy: -45.732 tors. eta vs tors. theta energy: -69.348 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: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -675.686416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.686416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.686416 (E_RNA) where: Base-Base interactions energy: -418.644 where: short stacking energy: -212.912 Base-Backbone interact. energy: -1.364 local terms energy: -255.678428 where: bonds (distance) C4'-P energy: -55.756 bonds (distance) P-C4' energy: -62.360 flat angles C4'-P-C4' energy: -53.943 flat angles P-C4'-P energy: -32.143 tors. eta vs tors. theta energy: -51.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -476.868386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.868386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.868386 (E_RNA) where: Base-Base interactions energy: -239.817 where: short stacking energy: -134.218 Base-Backbone interact. energy: -1.526 local terms energy: -235.525180 where: bonds (distance) C4'-P energy: -58.937 bonds (distance) P-C4' energy: -65.812 flat angles C4'-P-C4' energy: -61.453 flat angles P-C4'-P energy: -32.604 tors. eta vs tors. theta energy: -16.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -512.683236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.683236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.683236 (E_RNA) where: Base-Base interactions energy: -298.749 where: short stacking energy: -160.693 Base-Backbone interact. energy: -0.938 local terms energy: -212.996204 where: bonds (distance) C4'-P energy: -57.752 bonds (distance) P-C4' energy: -53.385 flat angles C4'-P-C4' energy: -43.562 flat angles P-C4'-P energy: -31.684 tors. eta vs tors. theta energy: -26.613 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: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -399.277293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.277293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.277293 (E_RNA) where: Base-Base interactions energy: -201.331 where: short stacking energy: -117.016 Base-Backbone interact. energy: 0.977 local terms energy: -198.922949 where: bonds (distance) C4'-P energy: -59.095 bonds (distance) P-C4' energy: -57.984 flat angles C4'-P-C4' energy: -52.670 flat angles P-C4'-P energy: -26.528 tors. eta vs tors. theta energy: -2.647 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: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -292.492182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.492182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.492182 (E_RNA) where: Base-Base interactions energy: -105.004 where: short stacking energy: -83.446 Base-Backbone interact. energy: -0.838 local terms energy: -186.649752 where: bonds (distance) C4'-P energy: -52.420 bonds (distance) P-C4' energy: -58.486 flat angles C4'-P-C4' energy: -51.472 flat angles P-C4'-P energy: -17.785 tors. eta vs tors. theta energy: -6.487 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: 2 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1030.716832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.716832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.716832 (E_RNA) where: Base-Base interactions energy: -683.876 where: short stacking energy: -317.708 Base-Backbone interact. energy: -3.898 local terms energy: -342.942266 where: bonds (distance) C4'-P energy: -57.784 bonds (distance) P-C4' energy: -74.133 flat angles C4'-P-C4' energy: -74.612 flat angles P-C4'-P energy: -48.389 tors. eta vs tors. theta energy: -88.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -999.232186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.232186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.232186 (E_RNA) where: Base-Base interactions energy: -673.729 where: short stacking energy: -287.732 Base-Backbone interact. energy: 0.969 local terms energy: -326.471294 where: bonds (distance) C4'-P energy: -71.750 bonds (distance) P-C4' energy: -65.900 flat angles C4'-P-C4' energy: -68.356 flat angles P-C4'-P energy: -47.051 tors. eta vs tors. theta energy: -73.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -937.110632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.110632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.110632 (E_RNA) where: Base-Base interactions energy: -611.399 where: short stacking energy: -273.248 Base-Backbone interact. energy: -0.080 local terms energy: -325.631823 where: bonds (distance) C4'-P energy: -63.347 bonds (distance) P-C4' energy: -71.218 flat angles C4'-P-C4' energy: -73.694 flat angles P-C4'-P energy: -52.360 tors. eta vs tors. theta energy: -65.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -883.437667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.437667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.437667 (E_RNA) where: Base-Base interactions energy: -565.974 where: short stacking energy: -274.230 Base-Backbone interact. energy: -2.269 local terms energy: -315.195312 where: bonds (distance) C4'-P energy: -55.792 bonds (distance) P-C4' energy: -61.681 flat angles C4'-P-C4' energy: -76.555 flat angles P-C4'-P energy: -41.601 tors. eta vs tors. theta energy: -79.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -788.500599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.500599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.500599 (E_RNA) where: Base-Base interactions energy: -526.149 where: short stacking energy: -238.937 Base-Backbone interact. energy: -0.528 local terms energy: -261.823969 where: bonds (distance) C4'-P energy: -55.593 bonds (distance) P-C4' energy: -55.712 flat angles C4'-P-C4' energy: -63.311 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: -49.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -673.728853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.728853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.728853 (E_RNA) where: Base-Base interactions energy: -401.602 where: short stacking energy: -211.176 Base-Backbone interact. energy: -0.897 local terms energy: -271.230411 where: bonds (distance) C4'-P energy: -63.869 bonds (distance) P-C4' energy: -63.590 flat angles C4'-P-C4' energy: -54.814 flat angles P-C4'-P energy: -37.544 tors. eta vs tors. theta energy: -51.414 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: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -511.983081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.983081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.983081 (E_RNA) where: Base-Base interactions energy: -256.648 where: short stacking energy: -161.760 Base-Backbone interact. energy: 2.450 local terms energy: -257.784932 where: bonds (distance) C4'-P energy: -67.888 bonds (distance) P-C4' energy: -68.962 flat angles C4'-P-C4' energy: -61.109 flat angles P-C4'-P energy: -35.586 tors. eta vs tors. theta energy: -24.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -467.307866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.307866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.307866 (E_RNA) where: Base-Base interactions energy: -256.441 where: short stacking energy: -129.025 Base-Backbone interact. energy: -0.575 local terms energy: -210.292042 where: bonds (distance) C4'-P energy: -44.819 bonds (distance) P-C4' energy: -63.518 flat angles C4'-P-C4' energy: -43.712 flat angles P-C4'-P energy: -42.346 tors. eta vs tors. theta energy: -15.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -499.881895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.881895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.881895 (E_RNA) where: Base-Base interactions energy: -270.707 where: short stacking energy: -137.048 Base-Backbone interact. energy: -0.527 local terms energy: -228.647302 where: bonds (distance) C4'-P energy: -62.194 bonds (distance) P-C4' energy: -56.012 flat angles C4'-P-C4' energy: -62.893 flat angles P-C4'-P energy: -30.161 tors. eta vs tors. theta energy: -17.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -279.140996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.140996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.140996 (E_RNA) where: Base-Base interactions energy: -104.118 where: short stacking energy: -86.787 Base-Backbone interact. energy: -0.354 local terms energy: -174.668670 where: bonds (distance) C4'-P energy: -55.699 bonds (distance) P-C4' energy: -63.914 flat angles C4'-P-C4' energy: -44.312 flat angles P-C4'-P energy: -15.789 tors. eta vs tors. theta energy: 5.046 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: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1071.798846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.798846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.798846 (E_RNA) where: Base-Base interactions energy: -711.465 where: short stacking energy: -322.405 Base-Backbone interact. energy: -0.642 local terms energy: -359.691310 where: bonds (distance) C4'-P energy: -69.237 bonds (distance) P-C4' energy: -65.440 flat angles C4'-P-C4' energy: -75.771 flat angles P-C4'-P energy: -54.461 tors. eta vs tors. theta energy: -94.783 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: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -985.486922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.486922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.486922 (E_RNA) where: Base-Base interactions energy: -661.400 where: short stacking energy: -272.919 Base-Backbone interact. energy: 1.131 local terms energy: -325.217492 where: bonds (distance) C4'-P energy: -73.344 bonds (distance) P-C4' energy: -72.333 flat angles C4'-P-C4' energy: -73.360 flat angles P-C4'-P energy: -46.879 tors. eta vs tors. theta energy: -59.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -970.839691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.839691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.839691 (E_RNA) where: Base-Base interactions energy: -636.186 where: short stacking energy: -289.019 Base-Backbone interact. energy: 1.808 local terms energy: -336.461171 where: bonds (distance) C4'-P energy: -64.062 bonds (distance) P-C4' energy: -65.532 flat angles C4'-P-C4' energy: -76.024 flat angles P-C4'-P energy: -47.919 tors. eta vs tors. theta energy: -82.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -882.144812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.144812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.144812 (E_RNA) where: Base-Base interactions energy: -564.493 where: short stacking energy: -276.786 Base-Backbone interact. energy: 1.728 local terms energy: -319.379439 where: bonds (distance) C4'-P energy: -61.306 bonds (distance) P-C4' energy: -77.807 flat angles C4'-P-C4' energy: -68.141 flat angles P-C4'-P energy: -43.170 tors. eta vs tors. theta energy: -68.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -822.368547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.368547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.368547 (E_RNA) where: Base-Base interactions energy: -516.117 where: short stacking energy: -224.140 Base-Backbone interact. energy: 2.078 local terms energy: -308.329852 where: bonds (distance) C4'-P energy: -72.205 bonds (distance) P-C4' energy: -65.408 flat angles C4'-P-C4' energy: -72.158 flat angles P-C4'-P energy: -49.791 tors. eta vs tors. theta energy: -48.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -660.443188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.443188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.443188 (E_RNA) where: Base-Base interactions energy: -396.203 where: short stacking energy: -212.386 Base-Backbone interact. energy: -1.401 local terms energy: -262.838737 where: bonds (distance) C4'-P energy: -58.258 bonds (distance) P-C4' energy: -63.520 flat angles C4'-P-C4' energy: -68.058 flat angles P-C4'-P energy: -28.877 tors. eta vs tors. theta energy: -44.125 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: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -518.493556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.493556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.493556 (E_RNA) where: Base-Base interactions energy: -267.199 where: short stacking energy: -151.694 Base-Backbone interact. energy: -0.518 local terms energy: -250.776652 where: bonds (distance) C4'-P energy: -59.938 bonds (distance) P-C4' energy: -64.018 flat angles C4'-P-C4' energy: -60.712 flat angles P-C4'-P energy: -42.897 tors. eta vs tors. theta energy: -23.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -454.928432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.928432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.928432 (E_RNA) where: Base-Base interactions energy: -247.054 where: short stacking energy: -129.272 Base-Backbone interact. energy: -0.661 local terms energy: -207.213033 where: bonds (distance) C4'-P energy: -56.085 bonds (distance) P-C4' energy: -52.323 flat angles C4'-P-C4' energy: -46.663 flat angles P-C4'-P energy: -35.021 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: 9, replica: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -509.560428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.560428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.560428 (E_RNA) where: Base-Base interactions energy: -282.284 where: short stacking energy: -141.755 Base-Backbone interact. energy: -2.040 local terms energy: -225.236233 where: bonds (distance) C4'-P energy: -55.456 bonds (distance) P-C4' energy: -63.029 flat angles C4'-P-C4' energy: -61.201 flat angles P-C4'-P energy: -32.810 tors. eta vs tors. theta energy: -12.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -284.630136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.630136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.630136 (E_RNA) where: Base-Base interactions energy: -103.114 where: short stacking energy: -70.378 Base-Backbone interact. energy: -0.047 local terms energy: -181.468515 where: bonds (distance) C4'-P energy: -53.840 bonds (distance) P-C4' energy: -68.512 flat angles C4'-P-C4' energy: -47.666 flat angles P-C4'-P energy: -34.775 tors. eta vs tors. theta energy: 23.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1064.419948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.419948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.419948 (E_RNA) where: Base-Base interactions energy: -706.499 where: short stacking energy: -309.313 Base-Backbone interact. energy: 0.867 local terms energy: -358.787670 where: bonds (distance) C4'-P energy: -62.421 bonds (distance) P-C4' energy: -82.038 flat angles C4'-P-C4' energy: -73.794 flat angles P-C4'-P energy: -48.550 tors. eta vs tors. theta energy: -91.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -990.486964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.486964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.486964 (E_RNA) where: Base-Base interactions energy: -656.960 where: short stacking energy: -321.692 Base-Backbone interact. energy: -1.078 local terms energy: -332.449064 where: bonds (distance) C4'-P energy: -64.641 bonds (distance) P-C4' energy: -66.442 flat angles C4'-P-C4' energy: -71.924 flat angles P-C4'-P energy: -44.538 tors. eta vs tors. theta energy: -84.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -963.530319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.530319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.530319 (E_RNA) where: Base-Base interactions energy: -651.136 where: short stacking energy: -282.576 Base-Backbone interact. energy: -2.193 local terms energy: -310.200971 where: bonds (distance) C4'-P energy: -61.504 bonds (distance) P-C4' energy: -53.343 flat angles C4'-P-C4' energy: -77.204 flat angles P-C4'-P energy: -46.577 tors. eta vs tors. theta energy: -71.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -900.547855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.547855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.547855 (E_RNA) where: Base-Base interactions energy: -590.726 where: short stacking energy: -266.889 Base-Backbone interact. energy: -1.899 local terms energy: -307.922788 where: bonds (distance) C4'-P energy: -70.420 bonds (distance) P-C4' energy: -61.534 flat angles C4'-P-C4' energy: -72.451 flat angles P-C4'-P energy: -34.609 tors. eta vs tors. theta energy: -68.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -825.609406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.609406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.609406 (E_RNA) where: Base-Base interactions energy: -545.974 where: short stacking energy: -237.559 Base-Backbone interact. energy: 1.407 local terms energy: -281.042082 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -72.040 flat angles C4'-P-C4' energy: -63.873 flat angles P-C4'-P energy: -40.075 tors. eta vs tors. theta energy: -40.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -630.005985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.005985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.005985 (E_RNA) where: Base-Base interactions energy: -360.234 where: short stacking energy: -189.021 Base-Backbone interact. energy: -1.943 local terms energy: -267.828634 where: bonds (distance) C4'-P energy: -59.475 bonds (distance) P-C4' energy: -72.015 flat angles C4'-P-C4' energy: -60.624 flat angles P-C4'-P energy: -42.506 tors. eta vs tors. theta energy: -33.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -536.107620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.107620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.107620 (E_RNA) where: Base-Base interactions energy: -298.231 where: short stacking energy: -170.500 Base-Backbone interact. energy: 0.117 local terms energy: -237.993841 where: bonds (distance) C4'-P energy: -56.956 bonds (distance) P-C4' energy: -51.731 flat angles C4'-P-C4' energy: -55.510 flat angles P-C4'-P energy: -36.515 tors. eta vs tors. theta energy: -37.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -555.815737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.815737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.815737 (E_RNA) where: Base-Base interactions energy: -315.366 where: short stacking energy: -170.935 Base-Backbone interact. energy: -0.059 local terms energy: -240.391538 where: bonds (distance) C4'-P energy: -53.876 bonds (distance) P-C4' energy: -52.406 flat angles C4'-P-C4' energy: -66.946 flat angles P-C4'-P energy: -31.758 tors. eta vs tors. theta energy: -35.405 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: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -420.889590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.889590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.889590 (E_RNA) where: Base-Base interactions energy: -221.389 where: short stacking energy: -122.631 Base-Backbone interact. energy: -2.421 local terms energy: -197.078990 where: bonds (distance) C4'-P energy: -57.916 bonds (distance) P-C4' energy: -62.885 flat angles C4'-P-C4' energy: -42.391 flat angles P-C4'-P energy: -16.414 tors. eta vs tors. theta energy: -17.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -289.964896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.964896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.964896 (E_RNA) where: Base-Base interactions energy: -104.958 where: short stacking energy: -93.885 Base-Backbone interact. energy: 7.415 local terms energy: -192.421449 where: bonds (distance) C4'-P energy: -52.667 bonds (distance) P-C4' energy: -56.139 flat angles C4'-P-C4' energy: -59.248 flat angles P-C4'-P energy: -18.999 tors. eta vs tors. theta energy: -5.368 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: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1059.356556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.356556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.356556 (E_RNA) where: Base-Base interactions energy: -714.688 where: short stacking energy: -312.846 Base-Backbone interact. energy: -0.969 local terms energy: -343.699760 where: bonds (distance) C4'-P energy: -63.996 bonds (distance) P-C4' energy: -66.748 flat angles C4'-P-C4' energy: -81.666 flat angles P-C4'-P energy: -31.778 tors. eta vs tors. theta energy: -99.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1021.959485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.959485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.959485 (E_RNA) where: Base-Base interactions energy: -663.316 where: short stacking energy: -317.344 Base-Backbone interact. energy: -0.266 local terms energy: -358.376780 where: bonds (distance) C4'-P energy: -67.609 bonds (distance) P-C4' energy: -67.814 flat angles C4'-P-C4' energy: -77.506 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: -89.919 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: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -963.872392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.872392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.872392 (E_RNA) where: Base-Base interactions energy: -635.255 where: short stacking energy: -266.088 Base-Backbone interact. energy: 1.811 local terms energy: -330.429000 where: bonds (distance) C4'-P energy: -70.145 bonds (distance) P-C4' energy: -77.005 flat angles C4'-P-C4' energy: -75.850 flat angles P-C4'-P energy: -39.011 tors. eta vs tors. theta energy: -68.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -912.903730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.903730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.903730 (E_RNA) where: Base-Base interactions energy: -586.659 where: short stacking energy: -296.201 Base-Backbone interact. energy: -1.736 local terms energy: -324.508858 where: bonds (distance) C4'-P energy: -61.996 bonds (distance) P-C4' energy: -67.270 flat angles C4'-P-C4' energy: -73.833 flat angles P-C4'-P energy: -48.004 tors. eta vs tors. theta energy: -73.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -793.835512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.835512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.835512 (E_RNA) where: Base-Base interactions energy: -524.081 where: short stacking energy: -238.060 Base-Backbone interact. energy: -2.162 local terms energy: -267.592737 where: bonds (distance) C4'-P energy: -67.523 bonds (distance) P-C4' energy: -71.173 flat angles C4'-P-C4' energy: -50.753 flat angles P-C4'-P energy: -37.370 tors. eta vs tors. theta energy: -40.773 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: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -662.280840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.280840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.280840 (E_RNA) where: Base-Base interactions energy: -385.913 where: short stacking energy: -192.224 Base-Backbone interact. energy: -2.655 local terms energy: -273.712480 where: bonds (distance) C4'-P energy: -70.135 bonds (distance) P-C4' energy: -51.433 flat angles C4'-P-C4' energy: -66.208 flat angles P-C4'-P energy: -46.146 tors. eta vs tors. theta energy: -39.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -562.747596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.747596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.747596 (E_RNA) where: Base-Base interactions energy: -304.392 where: short stacking energy: -154.475 Base-Backbone interact. energy: 0.479 local terms energy: -258.834910 where: bonds (distance) C4'-P energy: -72.355 bonds (distance) P-C4' energy: -64.526 flat angles C4'-P-C4' energy: -57.500 flat angles P-C4'-P energy: -39.763 tors. eta vs tors. theta energy: -24.690 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: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -507.839211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.839211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.839211 (E_RNA) where: Base-Base interactions energy: -279.948 where: short stacking energy: -168.530 Base-Backbone interact. energy: 1.220 local terms energy: -229.111105 where: bonds (distance) C4'-P energy: -57.742 bonds (distance) P-C4' energy: -45.031 flat angles C4'-P-C4' energy: -61.709 flat angles P-C4'-P energy: -27.245 tors. eta vs tors. theta energy: -37.385 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: 32 Temperature: 1.300000 Total energy: -319.872149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.872149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.872149 (E_RNA) where: Base-Base interactions energy: -116.576 where: short stacking energy: -111.718 Base-Backbone interact. energy: -0.634 local terms energy: -202.662210 where: bonds (distance) C4'-P energy: -48.286 bonds (distance) P-C4' energy: -49.947 flat angles C4'-P-C4' energy: -53.683 flat angles P-C4'-P energy: -37.812 tors. eta vs tors. theta energy: -12.933 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: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -385.991527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.991527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.991527 (E_RNA) where: Base-Base interactions energy: -190.233 where: short stacking energy: -123.327 Base-Backbone interact. energy: 3.930 local terms energy: -199.687994 where: bonds (distance) C4'-P energy: -53.268 bonds (distance) P-C4' energy: -65.121 flat angles C4'-P-C4' energy: -42.242 flat angles P-C4'-P energy: -29.959 tors. eta vs tors. theta energy: -9.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1037.191001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.191001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.191001 (E_RNA) where: Base-Base interactions energy: -691.456 where: short stacking energy: -311.561 Base-Backbone interact. energy: -1.513 local terms energy: -344.222522 where: bonds (distance) C4'-P energy: -62.589 bonds (distance) P-C4' energy: -68.112 flat angles C4'-P-C4' energy: -72.312 flat angles P-C4'-P energy: -52.258 tors. eta vs tors. theta energy: -88.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1003.902307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.902307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.902307 (E_RNA) where: Base-Base interactions energy: -667.718 where: short stacking energy: -333.628 Base-Backbone interact. energy: -0.902 local terms energy: -335.282510 where: bonds (distance) C4'-P energy: -60.864 bonds (distance) P-C4' energy: -59.194 flat angles C4'-P-C4' energy: -72.770 flat angles P-C4'-P energy: -49.203 tors. eta vs tors. theta energy: -93.251 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: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -982.133817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.133817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.133817 (E_RNA) where: Base-Base interactions energy: -653.351 where: short stacking energy: -286.100 Base-Backbone interact. energy: -1.138 local terms energy: -327.645359 where: bonds (distance) C4'-P energy: -63.186 bonds (distance) P-C4' energy: -71.488 flat angles C4'-P-C4' energy: -64.596 flat angles P-C4'-P energy: -44.317 tors. eta vs tors. theta energy: -84.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -914.300240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.300240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.300240 (E_RNA) where: Base-Base interactions energy: -598.592 where: short stacking energy: -276.324 Base-Backbone interact. energy: -0.910 local terms energy: -314.798499 where: bonds (distance) C4'-P energy: -67.042 bonds (distance) P-C4' energy: -50.428 flat angles C4'-P-C4' energy: -70.569 flat angles P-C4'-P energy: -49.671 tors. eta vs tors. theta energy: -77.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -835.868098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.868098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.868098 (E_RNA) where: Base-Base interactions energy: -562.847 where: short stacking energy: -244.690 Base-Backbone interact. energy: -0.980 local terms energy: -272.040475 where: bonds (distance) C4'-P energy: -44.575 bonds (distance) P-C4' energy: -71.869 flat angles C4'-P-C4' energy: -64.391 flat angles P-C4'-P energy: -40.426 tors. eta vs tors. theta energy: -50.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -664.948912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.948912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.948912 (E_RNA) where: Base-Base interactions energy: -389.199 where: short stacking energy: -211.343 Base-Backbone interact. energy: -1.321 local terms energy: -274.429671 where: bonds (distance) C4'-P energy: -66.314 bonds (distance) P-C4' energy: -64.506 flat angles C4'-P-C4' energy: -60.496 flat angles P-C4'-P energy: -36.881 tors. eta vs tors. theta energy: -46.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -558.060386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.060386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.060386 (E_RNA) where: Base-Base interactions energy: -315.780 where: short stacking energy: -171.976 Base-Backbone interact. energy: 0.983 local terms energy: -243.263546 where: bonds (distance) C4'-P energy: -62.991 bonds (distance) P-C4' energy: -72.974 flat angles C4'-P-C4' energy: -52.850 flat angles P-C4'-P energy: -27.448 tors. eta vs tors. theta energy: -27.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -471.237063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.237063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.237063 (E_RNA) where: Base-Base interactions energy: -250.539 where: short stacking energy: -141.365 Base-Backbone interact. energy: 1.397 local terms energy: -222.095042 where: bonds (distance) C4'-P energy: -45.072 bonds (distance) P-C4' energy: -63.459 flat angles C4'-P-C4' energy: -60.657 flat angles P-C4'-P energy: -36.639 tors. eta vs tors. theta energy: -16.267 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: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -308.629944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.629944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.629944 (E_RNA) where: Base-Base interactions energy: -120.259 where: short stacking energy: -92.766 Base-Backbone interact. energy: 2.873 local terms energy: -191.243579 where: bonds (distance) C4'-P energy: -63.759 bonds (distance) P-C4' energy: -56.849 flat angles C4'-P-C4' energy: -37.275 flat angles P-C4'-P energy: -38.673 tors. eta vs tors. theta energy: 5.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -321.746658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.746658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.746658 (E_RNA) where: Base-Base interactions energy: -101.402 where: short stacking energy: -87.008 Base-Backbone interact. energy: -1.681 local terms energy: -218.663953 where: bonds (distance) C4'-P energy: -63.824 bonds (distance) P-C4' energy: -71.818 flat angles C4'-P-C4' energy: -60.873 flat angles P-C4'-P energy: -29.206 tors. eta vs tors. theta energy: 7.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1061.293870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.293870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.293870 (E_RNA) where: Base-Base interactions energy: -707.251 where: short stacking energy: -294.935 Base-Backbone interact. energy: 1.353 local terms energy: -355.396067 where: bonds (distance) C4'-P energy: -68.404 bonds (distance) P-C4' energy: -78.283 flat angles C4'-P-C4' energy: -70.258 flat angles P-C4'-P energy: -52.639 tors. eta vs tors. theta energy: -85.813 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: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1018.505011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.505011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.505011 (E_RNA) where: Base-Base interactions energy: -673.747 where: short stacking energy: -336.646 Base-Backbone interact. energy: -0.924 local terms energy: -343.834184 where: bonds (distance) C4'-P energy: -66.376 bonds (distance) P-C4' energy: -62.048 flat angles C4'-P-C4' energy: -75.475 flat angles P-C4'-P energy: -53.599 tors. eta vs tors. theta energy: -86.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -945.833742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.833742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.833742 (E_RNA) where: Base-Base interactions energy: -617.239 where: short stacking energy: -265.458 Base-Backbone interact. energy: -3.036 local terms energy: -325.558552 where: bonds (distance) C4'-P energy: -68.949 bonds (distance) P-C4' energy: -70.426 flat angles C4'-P-C4' energy: -67.040 flat angles P-C4'-P energy: -43.746 tors. eta vs tors. theta energy: -75.396 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: 34 Temperature: 1.050000 Total energy: -922.977018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.977018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.977018 (E_RNA) where: Base-Base interactions energy: -605.763 where: short stacking energy: -274.766 Base-Backbone interact. energy: 0.241 local terms energy: -317.455081 where: bonds (distance) C4'-P energy: -69.456 bonds (distance) P-C4' energy: -69.539 flat angles C4'-P-C4' energy: -68.626 flat angles P-C4'-P energy: -39.161 tors. eta vs tors. theta energy: -70.673 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: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -828.884711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.884711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.884711 (E_RNA) where: Base-Base interactions energy: -550.724 where: short stacking energy: -234.996 Base-Backbone interact. energy: 0.231 local terms energy: -278.390885 where: bonds (distance) C4'-P energy: -56.880 bonds (distance) P-C4' energy: -67.951 flat angles C4'-P-C4' energy: -70.659 flat angles P-C4'-P energy: -28.885 tors. eta vs tors. theta energy: -54.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -681.557022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.557022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.557022 (E_RNA) where: Base-Base interactions energy: -398.839 where: short stacking energy: -213.977 Base-Backbone interact. energy: -1.100 local terms energy: -281.618334 where: bonds (distance) C4'-P energy: -67.776 bonds (distance) P-C4' energy: -70.490 flat angles C4'-P-C4' energy: -60.160 flat angles P-C4'-P energy: -30.402 tors. eta vs tors. theta energy: -52.789 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: 7, replica: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -607.861559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.861559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.861559 (E_RNA) where: Base-Base interactions energy: -361.616 where: short stacking energy: -192.672 Base-Backbone interact. energy: 0.122 local terms energy: -246.368350 where: bonds (distance) C4'-P energy: -63.283 bonds (distance) P-C4' energy: -51.828 flat angles C4'-P-C4' energy: -66.277 flat angles P-C4'-P energy: -26.322 tors. eta vs tors. theta energy: -38.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -449.830714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.830714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.830714 (E_RNA) where: Base-Base interactions energy: -265.617 where: short stacking energy: -122.157 Base-Backbone interact. energy: -1.888 local terms energy: -182.325465 where: bonds (distance) C4'-P energy: -49.399 bonds (distance) P-C4' energy: -59.626 flat angles C4'-P-C4' energy: -52.533 flat angles P-C4'-P energy: -20.940 tors. eta vs tors. theta energy: 0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -369.344959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.344959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.344959 (E_RNA) where: Base-Base interactions energy: -178.394 where: short stacking energy: -96.773 Base-Backbone interact. energy: -0.049 local terms energy: -190.902435 where: bonds (distance) C4'-P energy: -52.447 bonds (distance) P-C4' energy: -55.867 flat angles C4'-P-C4' energy: -47.111 flat angles P-C4'-P energy: -40.583 tors. eta vs tors. theta energy: 5.106 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: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -282.252288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.252288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.252288 (E_RNA) where: Base-Base interactions energy: -94.899 where: short stacking energy: -84.360 Base-Backbone interact. energy: 0.226 local terms energy: -187.579603 where: bonds (distance) C4'-P energy: -55.246 bonds (distance) P-C4' energy: -54.831 flat angles C4'-P-C4' energy: -50.079 flat angles P-C4'-P energy: -28.786 tors. eta vs tors. theta energy: 1.363 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: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1056.024115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.024115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.024115 (E_RNA) where: Base-Base interactions energy: -712.414 where: short stacking energy: -316.400 Base-Backbone interact. energy: 1.732 local terms energy: -345.341926 where: bonds (distance) C4'-P energy: -72.188 bonds (distance) P-C4' energy: -68.013 flat angles C4'-P-C4' energy: -76.479 flat angles P-C4'-P energy: -41.048 tors. eta vs tors. theta energy: -87.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1029.978148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.978148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.978148 (E_RNA) where: Base-Base interactions energy: -678.931 where: short stacking energy: -327.131 Base-Backbone interact. energy: -0.458 local terms energy: -350.588812 where: bonds (distance) C4'-P energy: -58.277 bonds (distance) P-C4' energy: -72.724 flat angles C4'-P-C4' energy: -71.584 flat angles P-C4'-P energy: -46.283 tors. eta vs tors. theta energy: -101.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -953.471372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.471372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.471372 (E_RNA) where: Base-Base interactions energy: -639.786 where: short stacking energy: -287.347 Base-Backbone interact. energy: -2.296 local terms energy: -311.389571 where: bonds (distance) C4'-P energy: -51.674 bonds (distance) P-C4' energy: -78.846 flat angles C4'-P-C4' energy: -76.377 flat angles P-C4'-P energy: -31.252 tors. eta vs tors. theta energy: -73.241 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: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -924.172290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.172290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.172290 (E_RNA) where: Base-Base interactions energy: -603.979 where: short stacking energy: -282.136 Base-Backbone interact. energy: -0.782 local terms energy: -319.411262 where: bonds (distance) C4'-P energy: -62.995 bonds (distance) P-C4' energy: -65.138 flat angles C4'-P-C4' energy: -69.465 flat angles P-C4'-P energy: -40.028 tors. eta vs tors. theta energy: -81.785 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: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -799.257016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.257016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.257016 (E_RNA) where: Base-Base interactions energy: -519.435 where: short stacking energy: -229.505 Base-Backbone interact. energy: 6.636 local terms energy: -286.458009 where: bonds (distance) C4'-P energy: -62.176 bonds (distance) P-C4' energy: -71.461 flat angles C4'-P-C4' energy: -62.191 flat angles P-C4'-P energy: -44.818 tors. eta vs tors. theta energy: -45.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -695.547033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.547033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.547033 (E_RNA) where: Base-Base interactions energy: -430.415 where: short stacking energy: -227.810 Base-Backbone interact. energy: 3.285 local terms energy: -268.416433 where: bonds (distance) C4'-P energy: -54.341 bonds (distance) P-C4' energy: -64.596 flat angles C4'-P-C4' energy: -66.630 flat angles P-C4'-P energy: -34.152 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: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -602.150400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.150400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.150400 (E_RNA) where: Base-Base interactions energy: -362.581 where: short stacking energy: -177.421 Base-Backbone interact. energy: 0.154 local terms energy: -239.723598 where: bonds (distance) C4'-P energy: -58.087 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -58.629 flat angles P-C4'-P energy: -25.703 tors. eta vs tors. theta energy: -33.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -451.591217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.591217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.591217 (E_RNA) where: Base-Base interactions energy: -228.916 where: short stacking energy: -140.468 Base-Backbone interact. energy: 2.761 local terms energy: -225.436599 where: bonds (distance) C4'-P energy: -52.622 bonds (distance) P-C4' energy: -58.782 flat angles C4'-P-C4' energy: -57.261 flat angles P-C4'-P energy: -42.959 tors. eta vs tors. theta energy: -13.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -382.873455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.873455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.873455 (E_RNA) where: Base-Base interactions energy: -185.954 where: short stacking energy: -130.719 Base-Backbone interact. energy: -0.865 local terms energy: -196.054561 where: bonds (distance) C4'-P energy: -41.682 bonds (distance) P-C4' energy: -66.487 flat angles C4'-P-C4' energy: -46.602 flat angles P-C4'-P energy: -31.309 tors. eta vs tors. theta energy: -9.975 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: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -282.137190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.137190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.137190 (E_RNA) where: Base-Base interactions energy: -86.072 where: short stacking energy: -72.044 Base-Backbone interact. energy: -0.968 local terms energy: -195.097132 where: bonds (distance) C4'-P energy: -52.267 bonds (distance) P-C4' energy: -71.217 flat angles C4'-P-C4' energy: -41.394 flat angles P-C4'-P energy: -39.046 tors. eta vs tors. theta energy: 8.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1073.200399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.200399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.200399 (E_RNA) where: Base-Base interactions energy: -710.389 where: short stacking energy: -315.152 Base-Backbone interact. energy: -0.555 local terms energy: -362.257024 where: bonds (distance) C4'-P energy: -65.076 bonds (distance) P-C4' energy: -74.195 flat angles C4'-P-C4' energy: -79.431 flat angles P-C4'-P energy: -48.811 tors. eta vs tors. theta energy: -94.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1009.893976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.893976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.893976 (E_RNA) where: Base-Base interactions energy: -654.310 where: short stacking energy: -321.643 Base-Backbone interact. energy: -1.613 local terms energy: -353.970606 where: bonds (distance) C4'-P energy: -65.356 bonds (distance) P-C4' energy: -71.607 flat angles C4'-P-C4' energy: -71.958 flat angles P-C4'-P energy: -51.085 tors. eta vs tors. theta energy: -93.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -969.491961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.491961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.491961 (E_RNA) where: Base-Base interactions energy: -635.959 where: short stacking energy: -289.603 Base-Backbone interact. energy: -1.910 local terms energy: -331.622727 where: bonds (distance) C4'-P energy: -64.230 bonds (distance) P-C4' energy: -70.972 flat angles C4'-P-C4' energy: -78.468 flat angles P-C4'-P energy: -41.672 tors. eta vs tors. theta energy: -76.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -934.310529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.310529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.310529 (E_RNA) where: Base-Base interactions energy: -607.930 where: short stacking energy: -292.900 Base-Backbone interact. energy: -0.732 local terms energy: -325.648464 where: bonds (distance) C4'-P energy: -67.033 bonds (distance) P-C4' energy: -62.576 flat angles C4'-P-C4' energy: -68.887 flat angles P-C4'-P energy: -49.062 tors. eta vs tors. theta energy: -78.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -797.275963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.275963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.275963 (E_RNA) where: Base-Base interactions energy: -509.047 where: short stacking energy: -224.682 Base-Backbone interact. energy: -1.786 local terms energy: -286.443013 where: bonds (distance) C4'-P energy: -61.525 bonds (distance) P-C4' energy: -69.172 flat angles C4'-P-C4' energy: -68.278 flat angles P-C4'-P energy: -41.344 tors. eta vs tors. theta energy: -46.124 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: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -697.119015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.119015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.119015 (E_RNA) where: Base-Base interactions energy: -415.591 where: short stacking energy: -224.069 Base-Backbone interact. energy: 3.036 local terms energy: -284.563540 where: bonds (distance) C4'-P energy: -71.863 bonds (distance) P-C4' energy: -55.129 flat angles C4'-P-C4' energy: -62.319 flat angles P-C4'-P energy: -39.336 tors. eta vs tors. theta energy: -55.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -603.326968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.326968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.326968 (E_RNA) where: Base-Base interactions energy: -333.917 where: short stacking energy: -151.523 Base-Backbone interact. energy: -2.224 local terms energy: -267.186191 where: bonds (distance) C4'-P energy: -63.509 bonds (distance) P-C4' energy: -66.698 flat angles C4'-P-C4' energy: -66.376 flat angles P-C4'-P energy: -48.444 tors. eta vs tors. theta energy: -22.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -463.747697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.747697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.747697 (E_RNA) where: Base-Base interactions energy: -256.904 where: short stacking energy: -132.651 Base-Backbone interact. energy: -2.208 local terms energy: -204.635370 where: bonds (distance) C4'-P energy: -52.146 bonds (distance) P-C4' energy: -68.009 flat angles C4'-P-C4' energy: -51.990 flat angles P-C4'-P energy: -26.026 tors. eta vs tors. theta energy: -6.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -370.600182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.600182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.600182 (E_RNA) where: Base-Base interactions energy: -194.319 where: short stacking energy: -122.784 Base-Backbone interact. energy: 0.255 local terms energy: -176.536432 where: bonds (distance) C4'-P energy: -61.363 bonds (distance) P-C4' energy: -50.534 flat angles C4'-P-C4' energy: -34.188 flat angles P-C4'-P energy: -20.996 tors. eta vs tors. theta energy: -9.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -293.716300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.716300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.716300 (E_RNA) where: Base-Base interactions energy: -79.068 where: short stacking energy: -71.063 Base-Backbone interact. energy: -0.524 local terms energy: -214.124181 where: bonds (distance) C4'-P energy: -53.925 bonds (distance) P-C4' energy: -75.790 flat angles C4'-P-C4' energy: -55.483 flat angles P-C4'-P energy: -29.354 tors. eta vs tors. theta energy: 0.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1078.394793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.394793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.394793 (E_RNA) where: Base-Base interactions energy: -708.319 where: short stacking energy: -330.972 Base-Backbone interact. energy: -1.289 local terms energy: -368.787055 where: bonds (distance) C4'-P energy: -75.739 bonds (distance) P-C4' energy: -79.582 flat angles C4'-P-C4' energy: -74.513 flat angles P-C4'-P energy: -50.263 tors. eta vs tors. theta energy: -88.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1034.694378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.694378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.694378 (E_RNA) where: Base-Base interactions energy: -696.784 where: short stacking energy: -320.811 Base-Backbone interact. energy: -1.637 local terms energy: -336.274177 where: bonds (distance) C4'-P energy: -66.117 bonds (distance) P-C4' energy: -64.214 flat angles C4'-P-C4' energy: -63.870 flat angles P-C4'-P energy: -50.471 tors. eta vs tors. theta energy: -91.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -952.102245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.102245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.102245 (E_RNA) where: Base-Base interactions energy: -648.984 where: short stacking energy: -293.191 Base-Backbone interact. energy: -0.905 local terms energy: -302.213208 where: bonds (distance) C4'-P energy: -45.885 bonds (distance) P-C4' energy: -62.297 flat angles C4'-P-C4' energy: -75.759 flat angles P-C4'-P energy: -45.564 tors. eta vs tors. theta energy: -72.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -904.213750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.213750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.213750 (E_RNA) where: Base-Base interactions energy: -609.552 where: short stacking energy: -273.416 Base-Backbone interact. energy: 1.689 local terms energy: -296.350582 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -58.301 flat angles C4'-P-C4' energy: -57.207 flat angles P-C4'-P energy: -36.299 tors. eta vs tors. theta energy: -82.479 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: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -812.285961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.285961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.285961 (E_RNA) where: Base-Base interactions energy: -539.058 where: short stacking energy: -241.173 Base-Backbone interact. energy: 1.824 local terms energy: -275.052182 where: bonds (distance) C4'-P energy: -60.775 bonds (distance) P-C4' energy: -73.895 flat angles C4'-P-C4' energy: -60.704 flat angles P-C4'-P energy: -39.040 tors. eta vs tors. theta energy: -40.639 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: 6, replica: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -732.074481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.074481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.074481 (E_RNA) where: Base-Base interactions energy: -448.312 where: short stacking energy: -219.250 Base-Backbone interact. energy: -1.098 local terms energy: -282.664159 where: bonds (distance) C4'-P energy: -53.940 bonds (distance) P-C4' energy: -64.188 flat angles C4'-P-C4' energy: -67.480 flat angles P-C4'-P energy: -46.599 tors. eta vs tors. theta energy: -50.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -542.574080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.574080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.574080 (E_RNA) where: Base-Base interactions energy: -325.146 where: short stacking energy: -175.369 Base-Backbone interact. energy: 0.468 local terms energy: -217.896344 where: bonds (distance) C4'-P energy: -52.467 bonds (distance) P-C4' energy: -60.372 flat angles C4'-P-C4' energy: -54.546 flat angles P-C4'-P energy: -23.879 tors. eta vs tors. theta energy: -26.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -419.010794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.010794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.010794 (E_RNA) where: Base-Base interactions energy: -198.241 where: short stacking energy: -128.377 Base-Backbone interact. energy: -0.352 local terms energy: -220.417170 where: bonds (distance) C4'-P energy: -58.842 bonds (distance) P-C4' energy: -63.638 flat angles C4'-P-C4' energy: -50.259 flat angles P-C4'-P energy: -34.789 tors. eta vs tors. theta energy: -12.888 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: 9, replica: 10 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -455.904381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.904381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.904381 (E_RNA) where: Base-Base interactions energy: -218.570 where: short stacking energy: -116.227 Base-Backbone interact. energy: 6.392 local terms energy: -243.726568 where: bonds (distance) C4'-P energy: -50.803 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -62.822 flat angles P-C4'-P energy: -43.708 tors. eta vs tors. theta energy: -10.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -320.006182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.006182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.006182 (E_RNA) where: Base-Base interactions energy: -141.760 where: short stacking energy: -114.398 Base-Backbone interact. energy: -0.368 local terms energy: -177.878332 where: bonds (distance) C4'-P energy: -50.015 bonds (distance) P-C4' energy: -47.958 flat angles C4'-P-C4' energy: -59.082 flat angles P-C4'-P energy: -18.095 tors. eta vs tors. theta energy: -2.729 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: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1057.405740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.405740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.405740 (E_RNA) where: Base-Base interactions energy: -700.333 where: short stacking energy: -323.362 Base-Backbone interact. energy: -2.230 local terms energy: -354.843012 where: bonds (distance) C4'-P energy: -74.071 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -77.630 flat angles P-C4'-P energy: -39.866 tors. eta vs tors. theta energy: -93.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1005.604042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.604042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.604042 (E_RNA) where: Base-Base interactions energy: -668.895 where: short stacking energy: -298.971 Base-Backbone interact. energy: -2.357 local terms energy: -334.351144 where: bonds (distance) C4'-P energy: -58.242 bonds (distance) P-C4' energy: -69.028 flat angles C4'-P-C4' energy: -69.386 flat angles P-C4'-P energy: -56.004 tors. eta vs tors. theta energy: -81.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -974.415113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.415113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.415113 (E_RNA) where: Base-Base interactions energy: -628.680 where: short stacking energy: -303.852 Base-Backbone interact. energy: -0.466 local terms energy: -345.269261 where: bonds (distance) C4'-P energy: -66.484 bonds (distance) P-C4' energy: -75.522 flat angles C4'-P-C4' energy: -74.115 flat angles P-C4'-P energy: -43.476 tors. eta vs tors. theta energy: -85.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -919.931342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.931342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.931342 (E_RNA) where: Base-Base interactions energy: -605.407 where: short stacking energy: -261.935 Base-Backbone interact. energy: -1.389 local terms energy: -313.135460 where: bonds (distance) C4'-P energy: -57.615 bonds (distance) P-C4' energy: -74.197 flat angles C4'-P-C4' energy: -70.247 flat angles P-C4'-P energy: -45.073 tors. eta vs tors. theta energy: -66.003 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: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -823.163703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.163703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.163703 (E_RNA) where: Base-Base interactions energy: -541.314 where: short stacking energy: -244.772 Base-Backbone interact. energy: 0.340 local terms energy: -282.189981 where: bonds (distance) C4'-P energy: -66.554 bonds (distance) P-C4' energy: -62.359 flat angles C4'-P-C4' energy: -63.285 flat angles P-C4'-P energy: -38.237 tors. eta vs tors. theta energy: -51.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -699.981001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.981001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.981001 (E_RNA) where: Base-Base interactions energy: -429.091 where: short stacking energy: -203.208 Base-Backbone interact. energy: -0.831 local terms energy: -270.059562 where: bonds (distance) C4'-P energy: -59.955 bonds (distance) P-C4' energy: -71.745 flat angles C4'-P-C4' energy: -59.260 flat angles P-C4'-P energy: -32.730 tors. eta vs tors. theta energy: -46.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -539.988159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.988159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.988159 (E_RNA) where: Base-Base interactions energy: -298.867 where: short stacking energy: -141.835 Base-Backbone interact. energy: 4.842 local terms energy: -245.963928 where: bonds (distance) C4'-P energy: -59.122 bonds (distance) P-C4' energy: -65.241 flat angles C4'-P-C4' energy: -66.229 flat angles P-C4'-P energy: -36.121 tors. eta vs tors. theta energy: -19.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -432.723107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.723107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.723107 (E_RNA) where: Base-Base interactions energy: -191.836 where: short stacking energy: -133.083 Base-Backbone interact. energy: 0.256 local terms energy: -241.143817 where: bonds (distance) C4'-P energy: -48.732 bonds (distance) P-C4' energy: -71.366 flat angles C4'-P-C4' energy: -62.772 flat angles P-C4'-P energy: -34.370 tors. eta vs tors. theta energy: -23.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -409.325842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.325842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.325842 (E_RNA) where: Base-Base interactions energy: -201.844 where: short stacking energy: -124.020 Base-Backbone interact. energy: -1.381 local terms energy: -206.100782 where: bonds (distance) C4'-P energy: -44.466 bonds (distance) P-C4' energy: -64.742 flat angles C4'-P-C4' energy: -63.588 flat angles P-C4'-P energy: -21.717 tors. eta vs tors. theta energy: -11.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -307.510507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.510507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.510507 (E_RNA) where: Base-Base interactions energy: -104.701 where: short stacking energy: -66.478 Base-Backbone interact. energy: 0.771 local terms energy: -203.580173 where: bonds (distance) C4'-P energy: -60.462 bonds (distance) P-C4' energy: -50.298 flat angles C4'-P-C4' energy: -54.394 flat angles P-C4'-P energy: -38.039 tors. eta vs tors. theta energy: -0.387 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: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1071.779928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.779928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.779928 (E_RNA) where: Base-Base interactions energy: -729.739 where: short stacking energy: -313.287 Base-Backbone interact. energy: -2.478 local terms energy: -339.562929 where: bonds (distance) C4'-P energy: -69.357 bonds (distance) P-C4' energy: -68.105 flat angles C4'-P-C4' energy: -76.783 flat angles P-C4'-P energy: -37.814 tors. eta vs tors. theta energy: -87.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1008.579812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.579812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.579812 (E_RNA) where: Base-Base interactions energy: -641.208 where: short stacking energy: -331.397 Base-Backbone interact. energy: -1.172 local terms energy: -366.200346 where: bonds (distance) C4'-P energy: -67.752 bonds (distance) P-C4' energy: -73.377 flat angles C4'-P-C4' energy: -84.585 flat angles P-C4'-P energy: -42.550 tors. eta vs tors. theta energy: -97.937 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: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -960.189211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.189211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.189211 (E_RNA) where: Base-Base interactions energy: -632.171 where: short stacking energy: -295.657 Base-Backbone interact. energy: -1.785 local terms energy: -326.232735 where: bonds (distance) C4'-P energy: -53.283 bonds (distance) P-C4' energy: -73.967 flat angles C4'-P-C4' energy: -69.287 flat angles P-C4'-P energy: -44.574 tors. eta vs tors. theta energy: -85.122 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: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -882.924214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.924214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.924214 (E_RNA) where: Base-Base interactions energy: -579.406 where: short stacking energy: -248.730 Base-Backbone interact. energy: -1.059 local terms energy: -302.459272 where: bonds (distance) C4'-P energy: -64.117 bonds (distance) P-C4' energy: -70.832 flat angles C4'-P-C4' energy: -51.029 flat angles P-C4'-P energy: -44.246 tors. eta vs tors. theta energy: -72.236 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: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -821.313421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.313421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.313421 (E_RNA) where: Base-Base interactions energy: -526.193 where: short stacking energy: -245.926 Base-Backbone interact. energy: -1.623 local terms energy: -293.496886 where: bonds (distance) C4'-P energy: -54.645 bonds (distance) P-C4' energy: -64.397 flat angles C4'-P-C4' energy: -73.151 flat angles P-C4'-P energy: -47.818 tors. eta vs tors. theta energy: -53.485 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: 7 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -701.050481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.050481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.050481 (E_RNA) where: Base-Base interactions energy: -417.855 where: short stacking energy: -218.442 Base-Backbone interact. energy: -1.335 local terms energy: -281.860241 where: bonds (distance) C4'-P energy: -62.740 bonds (distance) P-C4' energy: -58.305 flat angles C4'-P-C4' energy: -61.771 flat angles P-C4'-P energy: -38.700 tors. eta vs tors. theta energy: -60.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -541.147348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.147348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.147348 (E_RNA) where: Base-Base interactions energy: -314.539 where: short stacking energy: -156.656 Base-Backbone interact. energy: -0.450 local terms energy: -226.158663 where: bonds (distance) C4'-P energy: -51.410 bonds (distance) P-C4' energy: -65.085 flat angles C4'-P-C4' energy: -64.526 flat angles P-C4'-P energy: -23.988 tors. eta vs tors. theta energy: -21.149 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: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -423.909509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.909509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.909509 (E_RNA) where: Base-Base interactions energy: -223.762 where: short stacking energy: -140.164 Base-Backbone interact. energy: -0.362 local terms energy: -199.784994 where: bonds (distance) C4'-P energy: -48.512 bonds (distance) P-C4' energy: -65.483 flat angles C4'-P-C4' energy: -46.169 flat angles P-C4'-P energy: -28.056 tors. eta vs tors. theta energy: -11.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -362.198362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.198362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.198362 (E_RNA) where: Base-Base interactions energy: -151.537 where: short stacking energy: -92.817 Base-Backbone interact. energy: -1.109 local terms energy: -209.551868 where: bonds (distance) C4'-P energy: -61.235 bonds (distance) P-C4' energy: -67.252 flat angles C4'-P-C4' energy: -44.858 flat angles P-C4'-P energy: -31.873 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -303.166874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.166874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.166874 (E_RNA) where: Base-Base interactions energy: -107.791 where: short stacking energy: -94.815 Base-Backbone interact. energy: -0.155 local terms energy: -195.220810 where: bonds (distance) C4'-P energy: -39.874 bonds (distance) P-C4' energy: -64.172 flat angles C4'-P-C4' energy: -55.777 flat angles P-C4'-P energy: -30.035 tors. eta vs tors. theta energy: -5.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1059.762980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.762980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.762980 (E_RNA) where: Base-Base interactions energy: -713.918 where: short stacking energy: -308.704 Base-Backbone interact. energy: 1.474 local terms energy: -347.318675 where: bonds (distance) C4'-P energy: -64.372 bonds (distance) P-C4' energy: -73.197 flat angles C4'-P-C4' energy: -72.056 flat angles P-C4'-P energy: -46.046 tors. eta vs tors. theta energy: -91.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1016.903027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.903027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.903027 (E_RNA) where: Base-Base interactions energy: -660.685 where: short stacking energy: -333.777 Base-Backbone interact. energy: -1.512 local terms energy: -354.706153 where: bonds (distance) C4'-P energy: -70.801 bonds (distance) P-C4' energy: -67.994 flat angles C4'-P-C4' energy: -76.616 flat angles P-C4'-P energy: -44.751 tors. eta vs tors. theta energy: -94.544 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: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -952.194064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.194064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.194064 (E_RNA) where: Base-Base interactions energy: -621.236 where: short stacking energy: -293.341 Base-Backbone interact. energy: 1.084 local terms energy: -332.042516 where: bonds (distance) C4'-P energy: -56.845 bonds (distance) P-C4' energy: -75.095 flat angles C4'-P-C4' energy: -72.044 flat angles P-C4'-P energy: -45.760 tors. eta vs tors. theta energy: -82.299 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: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -922.058925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.058925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.058925 (E_RNA) where: Base-Base interactions energy: -607.868 where: short stacking energy: -265.163 Base-Backbone interact. energy: -1.844 local terms energy: -312.347166 where: bonds (distance) C4'-P energy: -62.219 bonds (distance) P-C4' energy: -69.993 flat angles C4'-P-C4' energy: -72.721 flat angles P-C4'-P energy: -41.770 tors. eta vs tors. theta energy: -65.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -787.547134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.547134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.547134 (E_RNA) where: Base-Base interactions energy: -515.493 where: short stacking energy: -239.045 Base-Backbone interact. energy: -0.684 local terms energy: -271.370407 where: bonds (distance) C4'-P energy: -72.152 bonds (distance) P-C4' energy: -49.089 flat angles C4'-P-C4' energy: -68.108 flat angles P-C4'-P energy: -38.855 tors. eta vs tors. theta energy: -43.167 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: 6, replica: 7 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -696.920125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.920125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.920125 (E_RNA) where: Base-Base interactions energy: -418.682 where: short stacking energy: -229.285 Base-Backbone interact. energy: 0.426 local terms energy: -278.663705 where: bonds (distance) C4'-P energy: -58.434 bonds (distance) P-C4' energy: -61.641 flat angles C4'-P-C4' energy: -65.632 flat angles P-C4'-P energy: -40.947 tors. eta vs tors. theta energy: -52.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -560.149253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.149253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.149253 (E_RNA) where: Base-Base interactions energy: -321.804 where: short stacking energy: -163.843 Base-Backbone interact. energy: 1.526 local terms energy: -239.870329 where: bonds (distance) C4'-P energy: -54.624 bonds (distance) P-C4' energy: -61.730 flat angles C4'-P-C4' energy: -57.574 flat angles P-C4'-P energy: -47.254 tors. eta vs tors. theta energy: -18.688 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: 40 Temperature: 1.250000 Total energy: -468.201159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.201159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.201159 (E_RNA) where: Base-Base interactions energy: -233.097 where: short stacking energy: -157.747 Base-Backbone interact. energy: -0.348 local terms energy: -234.756177 where: bonds (distance) C4'-P energy: -54.655 bonds (distance) P-C4' energy: -67.641 flat angles C4'-P-C4' energy: -58.629 flat angles P-C4'-P energy: -20.649 tors. eta vs tors. theta energy: -33.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -346.777087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.777087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.777087 (E_RNA) where: Base-Base interactions energy: -154.586 where: short stacking energy: -97.093 Base-Backbone interact. energy: -0.071 local terms energy: -192.120749 where: bonds (distance) C4'-P energy: -48.100 bonds (distance) P-C4' energy: -66.916 flat angles C4'-P-C4' energy: -49.060 flat angles P-C4'-P energy: -34.074 tors. eta vs tors. theta energy: 6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -282.610202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.610202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.610202 (E_RNA) where: Base-Base interactions energy: -98.288 where: short stacking energy: -93.505 Base-Backbone interact. energy: 0.890 local terms energy: -185.212169 where: bonds (distance) C4'-P energy: -57.227 bonds (distance) P-C4' energy: -45.294 flat angles C4'-P-C4' energy: -52.261 flat angles P-C4'-P energy: -28.005 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1055.024044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.024044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.024044 (E_RNA) where: Base-Base interactions energy: -730.237 where: short stacking energy: -314.360 Base-Backbone interact. energy: -2.249 local terms energy: -322.538265 where: bonds (distance) C4'-P energy: -71.128 bonds (distance) P-C4' energy: -68.854 flat angles C4'-P-C4' energy: -68.262 flat angles P-C4'-P energy: -36.929 tors. eta vs tors. theta energy: -77.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1006.002015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.002015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.002015 (E_RNA) where: Base-Base interactions energy: -656.536 where: short stacking energy: -299.637 Base-Backbone interact. energy: 1.514 local terms energy: -350.980631 where: bonds (distance) C4'-P energy: -67.629 bonds (distance) P-C4' energy: -70.943 flat angles C4'-P-C4' energy: -82.942 flat angles P-C4'-P energy: -48.275 tors. eta vs tors. theta energy: -81.191 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: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1006.958000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.958000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.958000 (E_RNA) where: Base-Base interactions energy: -673.459 where: short stacking energy: -299.266 Base-Backbone interact. energy: -0.500 local terms energy: -332.998934 where: bonds (distance) C4'-P energy: -67.436 bonds (distance) P-C4' energy: -59.279 flat angles C4'-P-C4' energy: -74.757 flat angles P-C4'-P energy: -41.942 tors. eta vs tors. theta energy: -89.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -896.447449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.447449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.447449 (E_RNA) where: Base-Base interactions energy: -592.591 where: short stacking energy: -262.394 Base-Backbone interact. energy: -0.439 local terms energy: -303.417428 where: bonds (distance) C4'-P energy: -60.423 bonds (distance) P-C4' energy: -68.296 flat angles C4'-P-C4' energy: -65.682 flat angles P-C4'-P energy: -45.077 tors. eta vs tors. theta energy: -63.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -775.405722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.405722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.405722 (E_RNA) where: Base-Base interactions energy: -512.905 where: short stacking energy: -217.628 Base-Backbone interact. energy: 3.225 local terms energy: -265.725872 where: bonds (distance) C4'-P energy: -47.398 bonds (distance) P-C4' energy: -63.343 flat angles C4'-P-C4' energy: -72.187 flat angles P-C4'-P energy: -38.858 tors. eta vs tors. theta energy: -43.940 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: 7 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -670.833447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.833447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.833447 (E_RNA) where: Base-Base interactions energy: -409.587 where: short stacking energy: -218.179 Base-Backbone interact. energy: -0.811 local terms energy: -260.436111 where: bonds (distance) C4'-P energy: -51.368 bonds (distance) P-C4' energy: -70.479 flat angles C4'-P-C4' energy: -60.818 flat angles P-C4'-P energy: -28.902 tors. eta vs tors. theta energy: -48.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -546.636045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.636045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.636045 (E_RNA) where: Base-Base interactions energy: -305.106 where: short stacking energy: -165.393 Base-Backbone interact. energy: 1.546 local terms energy: -243.076224 where: bonds (distance) C4'-P energy: -70.371 bonds (distance) P-C4' energy: -57.123 flat angles C4'-P-C4' energy: -63.643 flat angles P-C4'-P energy: -34.379 tors. eta vs tors. theta energy: -17.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -425.556584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.556584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.556584 (E_RNA) where: Base-Base interactions energy: -212.149 where: short stacking energy: -122.769 Base-Backbone interact. energy: -1.066 local terms energy: -212.341243 where: bonds (distance) C4'-P energy: -44.811 bonds (distance) P-C4' energy: -59.376 flat angles C4'-P-C4' energy: -50.170 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: -8.372 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: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -432.206627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.206627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.206627 (E_RNA) where: Base-Base interactions energy: -216.328 where: short stacking energy: -125.909 Base-Backbone interact. energy: -0.308 local terms energy: -215.570637 where: bonds (distance) C4'-P energy: -57.858 bonds (distance) P-C4' energy: -58.982 flat angles C4'-P-C4' energy: -41.529 flat angles P-C4'-P energy: -34.413 tors. eta vs tors. theta energy: -22.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -341.931567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.931567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.931567 (E_RNA) where: Base-Base interactions energy: -154.893 where: short stacking energy: -102.213 Base-Backbone interact. energy: -0.161 local terms energy: -186.877709 where: bonds (distance) C4'-P energy: -46.667 bonds (distance) P-C4' energy: -50.326 flat angles C4'-P-C4' energy: -50.730 flat angles P-C4'-P energy: -37.150 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1081.156166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.156166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.156166 (E_RNA) where: Base-Base interactions energy: -742.004 where: short stacking energy: -317.829 Base-Backbone interact. energy: -3.396 local terms energy: -335.756667 where: bonds (distance) C4'-P energy: -64.217 bonds (distance) P-C4' energy: -69.627 flat angles C4'-P-C4' energy: -67.802 flat angles P-C4'-P energy: -45.752 tors. eta vs tors. theta energy: -88.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1023.526973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.526973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.526973 (E_RNA) where: Base-Base interactions energy: -686.516 where: short stacking energy: -319.118 Base-Backbone interact. energy: -0.524 local terms energy: -336.486674 where: bonds (distance) C4'-P energy: -68.931 bonds (distance) P-C4' energy: -75.576 flat angles C4'-P-C4' energy: -66.209 flat angles P-C4'-P energy: -47.809 tors. eta vs tors. theta energy: -77.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1034.405752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.405752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.405752 (E_RNA) where: Base-Base interactions energy: -700.829 where: short stacking energy: -317.797 Base-Backbone interact. energy: 2.688 local terms energy: -336.264366 where: bonds (distance) C4'-P energy: -70.880 bonds (distance) P-C4' energy: -51.281 flat angles C4'-P-C4' energy: -68.874 flat angles P-C4'-P energy: -47.660 tors. eta vs tors. theta energy: -97.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -890.602359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.602359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.602359 (E_RNA) where: Base-Base interactions energy: -573.984 where: short stacking energy: -264.059 Base-Backbone interact. energy: 0.398 local terms energy: -317.016325 where: bonds (distance) C4'-P energy: -60.888 bonds (distance) P-C4' energy: -64.804 flat angles C4'-P-C4' energy: -78.640 flat angles P-C4'-P energy: -48.532 tors. eta vs tors. theta energy: -64.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -787.712303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.712303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.712303 (E_RNA) where: Base-Base interactions energy: -498.764 where: short stacking energy: -246.300 Base-Backbone interact. energy: -1.415 local terms energy: -287.532710 where: bonds (distance) C4'-P energy: -63.157 bonds (distance) P-C4' energy: -65.370 flat angles C4'-P-C4' energy: -54.493 flat angles P-C4'-P energy: -53.926 tors. eta vs tors. theta energy: -50.587 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: 7 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -673.286351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.286351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.286351 (E_RNA) where: Base-Base interactions energy: -413.167 where: short stacking energy: -207.013 Base-Backbone interact. energy: 0.103 local terms energy: -260.222477 where: bonds (distance) C4'-P energy: -54.550 bonds (distance) P-C4' energy: -64.585 flat angles C4'-P-C4' energy: -72.928 flat angles P-C4'-P energy: -38.038 tors. eta vs tors. theta energy: -30.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -537.910993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.910993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.910993 (E_RNA) where: Base-Base interactions energy: -314.504 where: short stacking energy: -150.200 Base-Backbone interact. energy: 2.449 local terms energy: -225.855716 where: bonds (distance) C4'-P energy: -52.371 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -61.947 flat angles P-C4'-P energy: -29.271 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: 8, replica: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -438.747227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.747227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.747227 (E_RNA) where: Base-Base interactions energy: -240.641 where: short stacking energy: -139.343 Base-Backbone interact. energy: 5.496 local terms energy: -203.602262 where: bonds (distance) C4'-P energy: -40.996 bonds (distance) P-C4' energy: -60.598 flat angles C4'-P-C4' energy: -46.024 flat angles P-C4'-P energy: -35.715 tors. eta vs tors. theta energy: -20.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -478.694685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.694685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.694685 (E_RNA) where: Base-Base interactions energy: -249.479 where: short stacking energy: -149.168 Base-Backbone interact. energy: 3.496 local terms energy: -232.711912 where: bonds (distance) C4'-P energy: -53.031 bonds (distance) P-C4' energy: -50.845 flat angles C4'-P-C4' energy: -56.957 flat angles P-C4'-P energy: -42.443 tors. eta vs tors. theta energy: -29.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -342.832854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.832854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.832854 (E_RNA) where: Base-Base interactions energy: -156.235 where: short stacking energy: -103.827 Base-Backbone interact. energy: -0.990 local terms energy: -185.608562 where: bonds (distance) C4'-P energy: -55.783 bonds (distance) P-C4' energy: -56.748 flat angles C4'-P-C4' energy: -60.914 flat angles P-C4'-P energy: -14.831 tors. eta vs tors. theta energy: 2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1069.790621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.790621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.790621 (E_RNA) where: Base-Base interactions energy: -724.127 where: short stacking energy: -320.948 Base-Backbone interact. energy: -3.366 local terms energy: -342.297329 where: bonds (distance) C4'-P energy: -73.822 bonds (distance) P-C4' energy: -71.065 flat angles C4'-P-C4' energy: -70.292 flat angles P-C4'-P energy: -42.431 tors. eta vs tors. theta energy: -84.688 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: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1043.517646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.517646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.517646 (E_RNA) where: Base-Base interactions energy: -702.025 where: short stacking energy: -336.348 Base-Backbone interact. energy: -0.621 local terms energy: -340.870995 where: bonds (distance) C4'-P energy: -70.093 bonds (distance) P-C4' energy: -67.091 flat angles C4'-P-C4' energy: -70.552 flat angles P-C4'-P energy: -43.076 tors. eta vs tors. theta energy: -90.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1008.795680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.795680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.795680 (E_RNA) where: Base-Base interactions energy: -682.717 where: short stacking energy: -303.629 Base-Backbone interact. energy: 0.513 local terms energy: -326.592233 where: bonds (distance) C4'-P energy: -66.503 bonds (distance) P-C4' energy: -70.160 flat angles C4'-P-C4' energy: -65.688 flat angles P-C4'-P energy: -41.068 tors. eta vs tors. theta energy: -83.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -865.385422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.385422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.385422 (E_RNA) where: Base-Base interactions energy: -594.802 where: short stacking energy: -254.992 Base-Backbone interact. energy: -2.756 local terms energy: -267.827058 where: bonds (distance) C4'-P energy: -63.260 bonds (distance) P-C4' energy: -65.195 flat angles C4'-P-C4' energy: -54.849 flat angles P-C4'-P energy: -33.817 tors. eta vs tors. theta energy: -50.707 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: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -771.698562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.698562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.698562 (E_RNA) where: Base-Base interactions energy: -497.467 where: short stacking energy: -233.507 Base-Backbone interact. energy: -3.448 local terms energy: -270.783592 where: bonds (distance) C4'-P energy: -44.849 bonds (distance) P-C4' energy: -70.890 flat angles C4'-P-C4' energy: -63.822 flat angles P-C4'-P energy: -38.904 tors. eta vs tors. theta energy: -52.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -704.823513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.823513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.823513 (E_RNA) where: Base-Base interactions energy: -426.736 where: short stacking energy: -228.850 Base-Backbone interact. energy: -0.722 local terms energy: -277.365773 where: bonds (distance) C4'-P energy: -68.330 bonds (distance) P-C4' energy: -58.463 flat angles C4'-P-C4' energy: -64.085 flat angles P-C4'-P energy: -39.059 tors. eta vs tors. theta energy: -47.429 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: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -606.938083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.938083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.938083 (E_RNA) where: Base-Base interactions energy: -352.535 where: short stacking energy: -175.312 Base-Backbone interact. energy: 3.174 local terms energy: -257.576841 where: bonds (distance) C4'-P energy: -59.263 bonds (distance) P-C4' energy: -64.622 flat angles C4'-P-C4' energy: -66.292 flat angles P-C4'-P energy: -32.400 tors. eta vs tors. theta energy: -35.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -474.843828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.843828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.843828 (E_RNA) where: Base-Base interactions energy: -220.233 where: short stacking energy: -136.127 Base-Backbone interact. energy: -4.853 local terms energy: -249.758103 where: bonds (distance) C4'-P energy: -55.868 bonds (distance) P-C4' energy: -65.086 flat angles C4'-P-C4' energy: -65.792 flat angles P-C4'-P energy: -42.489 tors. eta vs tors. theta energy: -20.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -409.661868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.661868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.661868 (E_RNA) where: Base-Base interactions energy: -211.957 where: short stacking energy: -138.403 Base-Backbone interact. energy: -1.135 local terms energy: -196.569084 where: bonds (distance) C4'-P energy: -50.031 bonds (distance) P-C4' energy: -63.853 flat angles C4'-P-C4' energy: -45.065 flat angles P-C4'-P energy: -23.634 tors. eta vs tors. theta energy: -13.987 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: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -342.588179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.588179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.588179 (E_RNA) where: Base-Base interactions energy: -159.496 where: short stacking energy: -108.387 Base-Backbone interact. energy: 3.476 local terms energy: -186.568137 where: bonds (distance) C4'-P energy: -55.751 bonds (distance) P-C4' energy: -42.152 flat angles C4'-P-C4' energy: -52.066 flat angles P-C4'-P energy: -32.548 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1085.201596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.201596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.201596 (E_RNA) where: Base-Base interactions energy: -732.494 where: short stacking energy: -326.903 Base-Backbone interact. energy: -1.815 local terms energy: -350.892702 where: bonds (distance) C4'-P energy: -73.930 bonds (distance) P-C4' energy: -64.982 flat angles C4'-P-C4' energy: -71.537 flat angles P-C4'-P energy: -43.134 tors. eta vs tors. theta energy: -97.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1024.529959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.529959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.529959 (E_RNA) where: Base-Base interactions energy: -695.264 where: short stacking energy: -312.211 Base-Backbone interact. energy: -2.520 local terms energy: -326.745440 where: bonds (distance) C4'-P energy: -60.266 bonds (distance) P-C4' energy: -63.151 flat angles C4'-P-C4' energy: -68.328 flat angles P-C4'-P energy: -48.027 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: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -969.257201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.257201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.257201 (E_RNA) where: Base-Base interactions energy: -636.154 where: short stacking energy: -288.651 Base-Backbone interact. energy: -0.357 local terms energy: -332.746140 where: bonds (distance) C4'-P energy: -69.045 bonds (distance) P-C4' energy: -68.281 flat angles C4'-P-C4' energy: -74.413 flat angles P-C4'-P energy: -42.097 tors. eta vs tors. theta energy: -78.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -898.285212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.285212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.285212 (E_RNA) where: Base-Base interactions energy: -569.052 where: short stacking energy: -269.578 Base-Backbone interact. energy: -0.192 local terms energy: -329.041126 where: bonds (distance) C4'-P energy: -64.999 bonds (distance) P-C4' energy: -71.170 flat angles C4'-P-C4' energy: -69.882 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: -80.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -784.058676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.058676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.058676 (E_RNA) where: Base-Base interactions energy: -485.207 where: short stacking energy: -250.579 Base-Backbone interact. energy: 0.084 local terms energy: -298.935590 where: bonds (distance) C4'-P energy: -58.452 bonds (distance) P-C4' energy: -55.190 flat angles C4'-P-C4' energy: -73.760 flat angles P-C4'-P energy: -50.873 tors. eta vs tors. theta energy: -60.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -693.708968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.708968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.708968 (E_RNA) where: Base-Base interactions energy: -425.654 where: short stacking energy: -228.104 Base-Backbone interact. energy: 2.588 local terms energy: -270.643093 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -62.497 flat angles C4'-P-C4' energy: -55.889 flat angles P-C4'-P energy: -51.127 tors. eta vs tors. theta energy: -46.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -587.872418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.872418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.872418 (E_RNA) where: Base-Base interactions energy: -346.327 where: short stacking energy: -169.947 Base-Backbone interact. energy: 0.729 local terms energy: -242.274790 where: bonds (distance) C4'-P energy: -65.942 bonds (distance) P-C4' energy: -51.220 flat angles C4'-P-C4' energy: -59.832 flat angles P-C4'-P energy: -36.635 tors. eta vs tors. theta energy: -28.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -456.071154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.071154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.071154 (E_RNA) where: Base-Base interactions energy: -234.279 where: short stacking energy: -116.407 Base-Backbone interact. energy: 2.748 local terms energy: -224.539598 where: bonds (distance) C4'-P energy: -58.132 bonds (distance) P-C4' energy: -63.439 flat angles C4'-P-C4' energy: -47.380 flat angles P-C4'-P energy: -51.662 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: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -383.028831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.028831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.028831 (E_RNA) where: Base-Base interactions energy: -178.898 where: short stacking energy: -114.777 Base-Backbone interact. energy: 2.957 local terms energy: -207.087851 where: bonds (distance) C4'-P energy: -49.736 bonds (distance) P-C4' energy: -72.973 flat angles C4'-P-C4' energy: -50.020 flat angles P-C4'-P energy: -23.880 tors. eta vs tors. theta energy: -10.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -387.044742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.044742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.044742 (E_RNA) where: Base-Base interactions energy: -178.087 where: short stacking energy: -114.907 Base-Backbone interact. energy: -0.096 local terms energy: -208.861795 where: bonds (distance) C4'-P energy: -59.911 bonds (distance) P-C4' energy: -64.792 flat angles C4'-P-C4' energy: -46.308 flat angles P-C4'-P energy: -26.815 tors. eta vs tors. theta energy: -11.035 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: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1111.236120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.236120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.236120 (E_RNA) where: Base-Base interactions energy: -739.338 where: short stacking energy: -351.478 Base-Backbone interact. energy: 0.905 local terms energy: -372.802408 where: bonds (distance) C4'-P energy: -62.354 bonds (distance) P-C4' energy: -69.606 flat angles C4'-P-C4' energy: -82.105 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: -102.994 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: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1018.182233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.182233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.182233 (E_RNA) where: Base-Base interactions energy: -678.194 where: short stacking energy: -300.091 Base-Backbone interact. energy: 2.013 local terms energy: -342.001919 where: bonds (distance) C4'-P energy: -69.516 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -76.935 flat angles P-C4'-P energy: -38.224 tors. eta vs tors. theta energy: -88.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -996.494674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.494674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.494674 (E_RNA) where: Base-Base interactions energy: -672.864 where: short stacking energy: -303.109 Base-Backbone interact. energy: -0.478 local terms energy: -323.153429 where: bonds (distance) C4'-P energy: -73.130 bonds (distance) P-C4' energy: -56.419 flat angles C4'-P-C4' energy: -71.857 flat angles P-C4'-P energy: -48.821 tors. eta vs tors. theta energy: -72.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -918.245881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.245881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.245881 (E_RNA) where: Base-Base interactions energy: -612.682 where: short stacking energy: -279.378 Base-Backbone interact. energy: 1.068 local terms energy: -306.631006 where: bonds (distance) C4'-P energy: -60.372 bonds (distance) P-C4' energy: -66.417 flat angles C4'-P-C4' energy: -67.978 flat angles P-C4'-P energy: -35.170 tors. eta vs tors. theta energy: -76.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -754.074654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.074654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.074654 (E_RNA) where: Base-Base interactions energy: -465.744 where: short stacking energy: -254.859 Base-Backbone interact. energy: -1.847 local terms energy: -286.483427 where: bonds (distance) C4'-P energy: -70.527 bonds (distance) P-C4' energy: -62.091 flat angles C4'-P-C4' energy: -58.188 flat angles P-C4'-P energy: -37.753 tors. eta vs tors. theta energy: -57.924 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: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -694.726016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.726016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.726016 (E_RNA) where: Base-Base interactions energy: -429.675 where: short stacking energy: -213.750 Base-Backbone interact. energy: 1.804 local terms energy: -266.854777 where: bonds (distance) C4'-P energy: -58.542 bonds (distance) P-C4' energy: -71.801 flat angles C4'-P-C4' energy: -61.263 flat angles P-C4'-P energy: -35.686 tors. eta vs tors. theta energy: -39.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -606.290461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.290461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.290461 (E_RNA) where: Base-Base interactions energy: -360.306 where: short stacking energy: -189.870 Base-Backbone interact. energy: 0.484 local terms energy: -246.468177 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -67.519 flat angles C4'-P-C4' energy: -47.865 flat angles P-C4'-P energy: -32.589 tors. eta vs tors. theta energy: -38.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -438.963677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.963677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.963677 (E_RNA) where: Base-Base interactions energy: -223.707 where: short stacking energy: -145.595 Base-Backbone interact. energy: -1.101 local terms energy: -214.155674 where: bonds (distance) C4'-P energy: -61.651 bonds (distance) P-C4' energy: -56.695 flat angles C4'-P-C4' energy: -53.848 flat angles P-C4'-P energy: -28.174 tors. eta vs tors. theta energy: -13.788 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: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -390.195961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.195961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.195961 (E_RNA) where: Base-Base interactions energy: -178.369 where: short stacking energy: -112.636 Base-Backbone interact. energy: -1.122 local terms energy: -210.705011 where: bonds (distance) C4'-P energy: -52.264 bonds (distance) P-C4' energy: -66.167 flat angles C4'-P-C4' energy: -54.807 flat angles P-C4'-P energy: -26.688 tors. eta vs tors. theta energy: -10.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -350.497752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.497752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.497752 (E_RNA) where: Base-Base interactions energy: -141.715 where: short stacking energy: -94.522 Base-Backbone interact. energy: 0.867 local terms energy: -209.649672 where: bonds (distance) C4'-P energy: -53.274 bonds (distance) P-C4' energy: -72.813 flat angles C4'-P-C4' energy: -58.796 flat angles P-C4'-P energy: -23.081 tors. eta vs tors. theta energy: -1.686 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: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1138.753158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.753158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.753158 (E_RNA) where: Base-Base interactions energy: -770.940 where: short stacking energy: -356.049 Base-Backbone interact. energy: -1.063 local terms energy: -366.750337 where: bonds (distance) C4'-P energy: -62.040 bonds (distance) P-C4' energy: -74.417 flat angles C4'-P-C4' energy: -77.207 flat angles P-C4'-P energy: -48.660 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: 2, replica: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1008.591300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.591300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.591300 (E_RNA) where: Base-Base interactions energy: -669.697 where: short stacking energy: -288.378 Base-Backbone interact. energy: -1.977 local terms energy: -336.917916 where: bonds (distance) C4'-P energy: -69.106 bonds (distance) P-C4' energy: -65.154 flat angles C4'-P-C4' energy: -71.178 flat angles P-C4'-P energy: -55.705 tors. eta vs tors. theta energy: -75.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1056.292932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.292932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.292932 (E_RNA) where: Base-Base interactions energy: -713.237 where: short stacking energy: -310.377 Base-Backbone interact. energy: -1.046 local terms energy: -342.009798 where: bonds (distance) C4'-P energy: -68.332 bonds (distance) P-C4' energy: -64.407 flat angles C4'-P-C4' energy: -77.843 flat angles P-C4'-P energy: -46.179 tors. eta vs tors. theta energy: -85.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -923.923237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.923237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.923237 (E_RNA) where: Base-Base interactions energy: -625.823 where: short stacking energy: -270.782 Base-Backbone interact. energy: -2.438 local terms energy: -295.662375 where: bonds (distance) C4'-P energy: -58.610 bonds (distance) P-C4' energy: -61.484 flat angles C4'-P-C4' energy: -65.964 flat angles P-C4'-P energy: -47.193 tors. eta vs tors. theta energy: -62.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -728.374344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.374344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.374344 (E_RNA) where: Base-Base interactions energy: -432.259 where: short stacking energy: -227.088 Base-Backbone interact. energy: -1.817 local terms energy: -294.298289 where: bonds (distance) C4'-P energy: -74.893 bonds (distance) P-C4' energy: -61.491 flat angles C4'-P-C4' energy: -67.741 flat angles P-C4'-P energy: -42.190 tors. eta vs tors. theta energy: -47.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -687.666717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.666717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.666717 (E_RNA) where: Base-Base interactions energy: -419.884 where: short stacking energy: -191.955 Base-Backbone interact. energy: -1.012 local terms energy: -266.770970 where: bonds (distance) C4'-P energy: -55.815 bonds (distance) P-C4' energy: -67.152 flat angles C4'-P-C4' energy: -58.255 flat angles P-C4'-P energy: -49.907 tors. eta vs tors. theta energy: -35.643 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: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -601.436612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.436612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.436612 (E_RNA) where: Base-Base interactions energy: -355.393 where: short stacking energy: -187.562 Base-Backbone interact. energy: 4.289 local terms energy: -250.332364 where: bonds (distance) C4'-P energy: -58.974 bonds (distance) P-C4' energy: -65.503 flat angles C4'-P-C4' energy: -57.490 flat angles P-C4'-P energy: -37.882 tors. eta vs tors. theta energy: -30.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -415.322987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.322987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.322987 (E_RNA) where: Base-Base interactions energy: -193.082 where: short stacking energy: -132.238 Base-Backbone interact. energy: -0.600 local terms energy: -221.640574 where: bonds (distance) C4'-P energy: -58.629 bonds (distance) P-C4' energy: -72.510 flat angles C4'-P-C4' energy: -49.973 flat angles P-C4'-P energy: -24.754 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -357.307405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.307405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.307405 (E_RNA) where: Base-Base interactions energy: -180.154 where: short stacking energy: -129.825 Base-Backbone interact. energy: 3.297 local terms energy: -180.449614 where: bonds (distance) C4'-P energy: -68.788 bonds (distance) P-C4' energy: -52.345 flat angles C4'-P-C4' energy: -50.580 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -4.988 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: 46 Temperature: 1.350000 Total energy: -329.784347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.784347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.784347 (E_RNA) where: Base-Base interactions energy: -154.853 where: short stacking energy: -90.135 Base-Backbone interact. energy: -1.795 local terms energy: -173.136091 where: bonds (distance) C4'-P energy: -46.757 bonds (distance) P-C4' energy: -50.858 flat angles C4'-P-C4' energy: -51.088 flat angles P-C4'-P energy: -24.960 tors. eta vs tors. theta energy: 0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1126.618746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.618746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.618746 (E_RNA) where: Base-Base interactions energy: -745.553 where: short stacking energy: -366.577 Base-Backbone interact. energy: -0.420 local terms energy: -380.645212 where: bonds (distance) C4'-P energy: -70.358 bonds (distance) P-C4' energy: -73.037 flat angles C4'-P-C4' energy: -80.259 flat angles P-C4'-P energy: -53.953 tors. eta vs tors. theta energy: -103.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1083.972652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.972652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.972652 (E_RNA) where: Base-Base interactions energy: -747.093 where: short stacking energy: -319.358 Base-Backbone interact. energy: -1.763 local terms energy: -335.116960 where: bonds (distance) C4'-P energy: -64.568 bonds (distance) P-C4' energy: -69.718 flat angles C4'-P-C4' energy: -77.500 flat angles P-C4'-P energy: -40.120 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: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -993.215679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.215679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.215679 (E_RNA) where: Base-Base interactions energy: -659.559 where: short stacking energy: -287.012 Base-Backbone interact. energy: -2.277 local terms energy: -331.379188 where: bonds (distance) C4'-P energy: -69.202 bonds (distance) P-C4' energy: -63.303 flat angles C4'-P-C4' energy: -80.340 flat angles P-C4'-P energy: -43.513 tors. eta vs tors. theta energy: -75.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -860.479746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.479746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.479746 (E_RNA) where: Base-Base interactions energy: -560.042 where: short stacking energy: -254.742 Base-Backbone interact. energy: -1.263 local terms energy: -299.175446 where: bonds (distance) C4'-P energy: -63.247 bonds (distance) P-C4' energy: -64.953 flat angles C4'-P-C4' energy: -70.542 flat angles P-C4'-P energy: -40.564 tors. eta vs tors. theta energy: -59.869 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: 5, replica: 7 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -762.301818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.301818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.301818 (E_RNA) where: Base-Base interactions energy: -460.409 where: short stacking energy: -231.386 Base-Backbone interact. energy: -2.002 local terms energy: -299.890686 where: bonds (distance) C4'-P energy: -67.513 bonds (distance) P-C4' energy: -74.361 flat angles C4'-P-C4' energy: -66.627 flat angles P-C4'-P energy: -42.027 tors. eta vs tors. theta energy: -49.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -680.327897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.327897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.327897 (E_RNA) where: Base-Base interactions energy: -413.904 where: short stacking energy: -203.640 Base-Backbone interact. energy: -1.328 local terms energy: -265.095403 where: bonds (distance) C4'-P energy: -49.367 bonds (distance) P-C4' energy: -76.870 flat angles C4'-P-C4' energy: -61.442 flat angles P-C4'-P energy: -36.594 tors. eta vs tors. theta energy: -40.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -610.606681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.606681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.606681 (E_RNA) where: Base-Base interactions energy: -368.778 where: short stacking energy: -156.443 Base-Backbone interact. energy: 3.016 local terms energy: -244.845241 where: bonds (distance) C4'-P energy: -56.307 bonds (distance) P-C4' energy: -74.525 flat angles C4'-P-C4' energy: -58.257 flat angles P-C4'-P energy: -23.637 tors. eta vs tors. theta energy: -32.118 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: 8, replica: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -403.431114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.431114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.431114 (E_RNA) where: Base-Base interactions energy: -199.937 where: short stacking energy: -117.536 Base-Backbone interact. energy: -0.829 local terms energy: -202.665103 where: bonds (distance) C4'-P energy: -64.460 bonds (distance) P-C4' energy: -61.336 flat angles C4'-P-C4' energy: -42.911 flat angles P-C4'-P energy: -36.172 tors. eta vs tors. theta energy: 2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -384.616499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.616499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.616499 (E_RNA) where: Base-Base interactions energy: -178.402 where: short stacking energy: -101.339 Base-Backbone interact. energy: -0.681 local terms energy: -205.534006 where: bonds (distance) C4'-P energy: -51.338 bonds (distance) P-C4' energy: -67.329 flat angles C4'-P-C4' energy: -49.964 flat angles P-C4'-P energy: -31.687 tors. eta vs tors. theta energy: -5.215 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: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -376.913469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.913469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.913469 (E_RNA) where: Base-Base interactions energy: -174.681 where: short stacking energy: -113.916 Base-Backbone interact. energy: -0.537 local terms energy: -201.695050 where: bonds (distance) C4'-P energy: -46.441 bonds (distance) P-C4' energy: -53.903 flat angles C4'-P-C4' energy: -50.375 flat angles P-C4'-P energy: -28.217 tors. eta vs tors. theta energy: -22.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1142.055219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.055219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.055219 (E_RNA) where: Base-Base interactions energy: -765.744 where: short stacking energy: -373.488 Base-Backbone interact. energy: -2.088 local terms energy: -374.222566 where: bonds (distance) C4'-P energy: -65.398 bonds (distance) P-C4' energy: -63.136 flat angles C4'-P-C4' energy: -76.037 flat angles P-C4'-P energy: -56.930 tors. eta vs tors. theta energy: -112.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1038.996511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.996511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.996511 (E_RNA) where: Base-Base interactions energy: -690.406 where: short stacking energy: -307.742 Base-Backbone interact. energy: -1.711 local terms energy: -346.879608 where: bonds (distance) C4'-P energy: -60.243 bonds (distance) P-C4' energy: -72.203 flat angles C4'-P-C4' energy: -80.060 flat angles P-C4'-P energy: -54.596 tors. eta vs tors. theta energy: -79.778 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: 48 Temperature: 1.000000 Total energy: -987.035054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.035054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.035054 (E_RNA) where: Base-Base interactions energy: -650.165 where: short stacking energy: -301.754 Base-Backbone interact. energy: -1.044 local terms energy: -335.825794 where: bonds (distance) C4'-P energy: -68.249 bonds (distance) P-C4' energy: -68.271 flat angles C4'-P-C4' energy: -65.114 flat angles P-C4'-P energy: -47.946 tors. eta vs tors. theta energy: -86.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -895.245292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.245292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.245292 (E_RNA) where: Base-Base interactions energy: -591.144 where: short stacking energy: -257.854 Base-Backbone interact. energy: 1.102 local terms energy: -305.202875 where: bonds (distance) C4'-P energy: -66.828 bonds (distance) P-C4' energy: -55.100 flat angles C4'-P-C4' energy: -67.617 flat angles P-C4'-P energy: -42.452 tors. eta vs tors. theta energy: -73.206 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: 7 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -734.217213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.217213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.217213 (E_RNA) where: Base-Base interactions energy: -452.115 where: short stacking energy: -221.137 Base-Backbone interact. energy: -1.173 local terms energy: -280.929036 where: bonds (distance) C4'-P energy: -70.348 bonds (distance) P-C4' energy: -61.791 flat angles C4'-P-C4' energy: -69.342 flat angles P-C4'-P energy: -33.049 tors. eta vs tors. theta energy: -46.398 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: 48 Temperature: 1.150000 Total energy: -675.813953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.813953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.813953 (E_RNA) where: Base-Base interactions energy: -415.878 where: short stacking energy: -187.722 Base-Backbone interact. energy: 3.746 local terms energy: -263.682156 where: bonds (distance) C4'-P energy: -59.157 bonds (distance) P-C4' energy: -61.282 flat angles C4'-P-C4' energy: -57.521 flat angles P-C4'-P energy: -51.675 tors. eta vs tors. theta energy: -34.047 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: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -571.426419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.426419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.426419 (E_RNA) where: Base-Base interactions energy: -327.235 where: short stacking energy: -161.795 Base-Backbone interact. energy: -1.313 local terms energy: -242.877889 where: bonds (distance) C4'-P energy: -56.686 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -58.233 flat angles P-C4'-P energy: -33.251 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: 8, replica: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -414.066424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.066424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.066424 (E_RNA) where: Base-Base interactions energy: -213.314 where: short stacking energy: -114.612 Base-Backbone interact. energy: -0.792 local terms energy: -199.960107 where: bonds (distance) C4'-P energy: -63.473 bonds (distance) P-C4' energy: -63.261 flat angles C4'-P-C4' energy: -46.235 flat angles P-C4'-P energy: -31.766 tors. eta vs tors. theta energy: 4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -377.478032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.478032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.478032 (E_RNA) where: Base-Base interactions energy: -137.017 where: short stacking energy: -87.490 Base-Backbone interact. energy: 0.883 local terms energy: -241.343553 where: bonds (distance) C4'-P energy: -57.662 bonds (distance) P-C4' energy: -70.248 flat angles C4'-P-C4' energy: -62.381 flat angles P-C4'-P energy: -39.354 tors. eta vs tors. theta energy: -11.698 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: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -363.384647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.384647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.384647 (E_RNA) where: Base-Base interactions energy: -157.285 where: short stacking energy: -112.137 Base-Backbone interact. energy: 1.153 local terms energy: -207.253265 where: bonds (distance) C4'-P energy: -48.931 bonds (distance) P-C4' energy: -58.163 flat angles C4'-P-C4' energy: -73.349 flat angles P-C4'-P energy: -28.749 tors. eta vs tors. theta energy: 1.940 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: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1127.059285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.059285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.059285 (E_RNA) where: Base-Base interactions energy: -740.109 where: short stacking energy: -355.854 Base-Backbone interact. energy: -1.563 local terms energy: -385.387861 where: bonds (distance) C4'-P energy: -76.163 bonds (distance) P-C4' energy: -71.683 flat angles C4'-P-C4' energy: -82.095 flat angles P-C4'-P energy: -45.118 tors. eta vs tors. theta energy: -110.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1039.464023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.464023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.464023 (E_RNA) where: Base-Base interactions energy: -690.948 where: short stacking energy: -323.567 Base-Backbone interact. energy: -0.034 local terms energy: -348.481508 where: bonds (distance) C4'-P energy: -69.032 bonds (distance) P-C4' energy: -64.212 flat angles C4'-P-C4' energy: -68.205 flat angles P-C4'-P energy: -58.112 tors. eta vs tors. theta energy: -88.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -965.351253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.351253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.351253 (E_RNA) where: Base-Base interactions energy: -639.619 where: short stacking energy: -286.481 Base-Backbone interact. energy: -1.888 local terms energy: -323.843941 where: bonds (distance) C4'-P energy: -62.162 bonds (distance) P-C4' energy: -64.604 flat angles C4'-P-C4' energy: -66.084 flat angles P-C4'-P energy: -45.878 tors. eta vs tors. theta energy: -85.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -893.508846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.508846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.508846 (E_RNA) where: Base-Base interactions energy: -583.958 where: short stacking energy: -257.416 Base-Backbone interact. energy: 1.516 local terms energy: -311.066682 where: bonds (distance) C4'-P energy: -65.069 bonds (distance) P-C4' energy: -71.850 flat angles C4'-P-C4' energy: -66.363 flat angles P-C4'-P energy: -52.661 tors. eta vs tors. theta energy: -55.123 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: 5, replica: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -740.094398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.094398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.094398 (E_RNA) where: Base-Base interactions energy: -464.663 where: short stacking energy: -219.762 Base-Backbone interact. energy: -1.003 local terms energy: -274.428083 where: bonds (distance) C4'-P energy: -65.130 bonds (distance) P-C4' energy: -67.479 flat angles C4'-P-C4' energy: -68.610 flat angles P-C4'-P energy: -32.913 tors. eta vs tors. theta energy: -40.296 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: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -644.828668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.828668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.828668 (E_RNA) where: Base-Base interactions energy: -378.984 where: short stacking energy: -196.109 Base-Backbone interact. energy: -2.246 local terms energy: -263.598404 where: bonds (distance) C4'-P energy: -66.956 bonds (distance) P-C4' energy: -61.421 flat angles C4'-P-C4' energy: -69.295 flat angles P-C4'-P energy: -39.000 tors. eta vs tors. theta energy: -26.926 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: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -619.007788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.007788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.007788 (E_RNA) where: Base-Base interactions energy: -363.303 where: short stacking energy: -182.867 Base-Backbone interact. energy: -1.064 local terms energy: -254.640982 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -56.733 flat angles C4'-P-C4' energy: -57.843 flat angles P-C4'-P energy: -45.973 tors. eta vs tors. theta energy: -28.246 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: 8, replica: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -438.231283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.231283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.231283 (E_RNA) where: Base-Base interactions energy: -232.200 where: short stacking energy: -126.657 Base-Backbone interact. energy: 0.107 local terms energy: -206.138886 where: bonds (distance) C4'-P energy: -61.989 bonds (distance) P-C4' energy: -51.103 flat angles C4'-P-C4' energy: -44.071 flat angles P-C4'-P energy: -33.466 tors. eta vs tors. theta energy: -15.510 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: 9, replica: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -411.790400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.790400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.790400 (E_RNA) where: Base-Base interactions energy: -200.805 where: short stacking energy: -123.505 Base-Backbone interact. energy: -0.104 local terms energy: -210.881983 where: bonds (distance) C4'-P energy: -51.672 bonds (distance) P-C4' energy: -64.629 flat angles C4'-P-C4' energy: -51.160 flat angles P-C4'-P energy: -38.214 tors. eta vs tors. theta energy: -5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -348.022787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.022787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.022787 (E_RNA) where: Base-Base interactions energy: -163.775 where: short stacking energy: -110.176 Base-Backbone interact. energy: 0.741 local terms energy: -184.988183 where: bonds (distance) C4'-P energy: -43.401 bonds (distance) P-C4' energy: -59.203 flat angles C4'-P-C4' energy: -48.296 flat angles P-C4'-P energy: -31.454 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1118.169132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.169132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.169132 (E_RNA) where: Base-Base interactions energy: -759.080 where: short stacking energy: -359.375 Base-Backbone interact. energy: -1.865 local terms energy: -357.224135 where: bonds (distance) C4'-P energy: -62.915 bonds (distance) P-C4' energy: -62.132 flat angles C4'-P-C4' energy: -73.231 flat angles P-C4'-P energy: -53.336 tors. eta vs tors. theta energy: -105.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1025.053396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.053396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.053396 (E_RNA) where: Base-Base interactions energy: -680.162 where: short stacking energy: -312.550 Base-Backbone interact. energy: -1.156 local terms energy: -343.735610 where: bonds (distance) C4'-P energy: -66.574 bonds (distance) P-C4' energy: -71.148 flat angles C4'-P-C4' energy: -74.099 flat angles P-C4'-P energy: -42.061 tors. eta vs tors. theta energy: -89.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -949.434121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.434121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.434121 (E_RNA) where: Base-Base interactions energy: -651.482 where: short stacking energy: -277.834 Base-Backbone interact. energy: -1.692 local terms energy: -296.260835 where: bonds (distance) C4'-P energy: -61.755 bonds (distance) P-C4' energy: -60.960 flat angles C4'-P-C4' energy: -70.647 flat angles P-C4'-P energy: -33.372 tors. eta vs tors. theta energy: -69.527 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: 8 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -890.878172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.878172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.878172 (E_RNA) where: Base-Base interactions energy: -569.035 where: short stacking energy: -264.588 Base-Backbone interact. energy: -2.696 local terms energy: -319.147143 where: bonds (distance) C4'-P energy: -63.472 bonds (distance) P-C4' energy: -75.294 flat angles C4'-P-C4' energy: -61.735 flat angles P-C4'-P energy: -47.390 tors. eta vs tors. theta energy: -71.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -688.985816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.985816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.985816 (E_RNA) where: Base-Base interactions energy: -429.147 where: short stacking energy: -202.946 Base-Backbone interact. energy: 0.250 local terms energy: -260.088334 where: bonds (distance) C4'-P energy: -49.119 bonds (distance) P-C4' energy: -59.889 flat angles C4'-P-C4' energy: -65.508 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -39.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -732.737438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.737438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.737438 (E_RNA) where: Base-Base interactions energy: -471.265 where: short stacking energy: -218.316 Base-Backbone interact. energy: 3.292 local terms energy: -264.764465 where: bonds (distance) C4'-P energy: -51.722 bonds (distance) P-C4' energy: -65.236 flat angles C4'-P-C4' energy: -72.854 flat angles P-C4'-P energy: -40.078 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: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -644.384917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.384917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.384917 (E_RNA) where: Base-Base interactions energy: -387.692 where: short stacking energy: -202.537 Base-Backbone interact. energy: 0.801 local terms energy: -257.494194 where: bonds (distance) C4'-P energy: -51.014 bonds (distance) P-C4' energy: -70.253 flat angles C4'-P-C4' energy: -62.559 flat angles P-C4'-P energy: -37.411 tors. eta vs tors. theta energy: -36.258 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: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -407.991914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.991914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.991914 (E_RNA) where: Base-Base interactions energy: -200.086 where: short stacking energy: -134.850 Base-Backbone interact. energy: 2.196 local terms energy: -210.101960 where: bonds (distance) C4'-P energy: -61.859 bonds (distance) P-C4' energy: -61.799 flat angles C4'-P-C4' energy: -40.052 flat angles P-C4'-P energy: -36.741 tors. eta vs tors. theta energy: -9.651 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: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -345.209584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.209584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.209584 (E_RNA) where: Base-Base interactions energy: -156.320 where: short stacking energy: -97.991 Base-Backbone interact. energy: 1.652 local terms energy: -190.541514 where: bonds (distance) C4'-P energy: -50.871 bonds (distance) P-C4' energy: -61.590 flat angles C4'-P-C4' energy: -40.017 flat angles P-C4'-P energy: -37.363 tors. eta vs tors. theta energy: -0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -353.742977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.742977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.742977 (E_RNA) where: Base-Base interactions energy: -166.389 where: short stacking energy: -121.467 Base-Backbone interact. energy: -0.952 local terms energy: -186.402203 where: bonds (distance) C4'-P energy: -55.221 bonds (distance) P-C4' energy: -54.109 flat angles C4'-P-C4' energy: -51.435 flat angles P-C4'-P energy: -26.584 tors. eta vs tors. theta energy: 0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1114.676203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.676203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.676203 (E_RNA) where: Base-Base interactions energy: -752.106 where: short stacking energy: -356.105 Base-Backbone interact. energy: 1.180 local terms energy: -363.750837 where: bonds (distance) C4'-P energy: -60.166 bonds (distance) P-C4' energy: -68.372 flat angles C4'-P-C4' energy: -76.376 flat angles P-C4'-P energy: -50.595 tors. eta vs tors. theta energy: -108.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1023.258268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.258268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.258268 (E_RNA) where: Base-Base interactions energy: -684.972 where: short stacking energy: -303.940 Base-Backbone interact. energy: -0.912 local terms energy: -337.374746 where: bonds (distance) C4'-P energy: -61.811 bonds (distance) P-C4' energy: -70.594 flat angles C4'-P-C4' energy: -67.274 flat angles P-C4'-P energy: -49.330 tors. eta vs tors. theta energy: -88.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -913.977476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.977476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.977476 (E_RNA) where: Base-Base interactions energy: -590.901 where: short stacking energy: -265.311 Base-Backbone interact. energy: -0.005 local terms energy: -323.071453 where: bonds (distance) C4'-P energy: -76.480 bonds (distance) P-C4' energy: -75.555 flat angles C4'-P-C4' energy: -71.060 flat angles P-C4'-P energy: -41.573 tors. eta vs tors. theta energy: -58.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -898.263749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.263749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.263749 (E_RNA) where: Base-Base interactions energy: -601.649 where: short stacking energy: -279.456 Base-Backbone interact. energy: -1.626 local terms energy: -294.989354 where: bonds (distance) C4'-P energy: -53.236 bonds (distance) P-C4' energy: -64.631 flat angles C4'-P-C4' energy: -67.227 flat angles P-C4'-P energy: -36.247 tors. eta vs tors. theta energy: -73.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -732.429937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.429937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.429937 (E_RNA) where: Base-Base interactions energy: -475.150 where: short stacking energy: -245.973 Base-Backbone interact. energy: 0.129 local terms energy: -257.409254 where: bonds (distance) C4'-P energy: -52.871 bonds (distance) P-C4' energy: -58.267 flat angles C4'-P-C4' energy: -62.853 flat angles P-C4'-P energy: -36.353 tors. eta vs tors. theta energy: -47.066 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: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -724.383312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.383312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.383312 (E_RNA) where: Base-Base interactions energy: -443.943 where: short stacking energy: -205.660 Base-Backbone interact. energy: -1.893 local terms energy: -278.546604 where: bonds (distance) C4'-P energy: -56.187 bonds (distance) P-C4' energy: -75.394 flat angles C4'-P-C4' energy: -58.315 flat angles P-C4'-P energy: -36.599 tors. eta vs tors. theta energy: -52.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -576.537436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.537436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.537436 (E_RNA) where: Base-Base interactions energy: -345.616 where: short stacking energy: -162.814 Base-Backbone interact. energy: -2.102 local terms energy: -228.819909 where: bonds (distance) C4'-P energy: -66.907 bonds (distance) P-C4' energy: -62.781 flat angles C4'-P-C4' energy: -51.898 flat angles P-C4'-P energy: -29.812 tors. eta vs tors. theta energy: -17.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -424.493999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.493999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.493999 (E_RNA) where: Base-Base interactions energy: -220.751 where: short stacking energy: -119.052 Base-Backbone interact. energy: 6.750 local terms energy: -210.493730 where: bonds (distance) C4'-P energy: -51.203 bonds (distance) P-C4' energy: -69.998 flat angles C4'-P-C4' energy: -51.772 flat angles P-C4'-P energy: -30.721 tors. eta vs tors. theta energy: -6.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -323.887547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.887547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.887547 (E_RNA) where: Base-Base interactions energy: -127.225 where: short stacking energy: -105.221 Base-Backbone interact. energy: -0.990 local terms energy: -195.672903 where: bonds (distance) C4'-P energy: -63.626 bonds (distance) P-C4' energy: -56.662 flat angles C4'-P-C4' energy: -54.242 flat angles P-C4'-P energy: -25.954 tors. eta vs tors. theta energy: 4.812 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: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -344.320616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.320616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.320616 (E_RNA) where: Base-Base interactions energy: -140.541 where: short stacking energy: -89.338 Base-Backbone interact. energy: 2.621 local terms energy: -206.400039 where: bonds (distance) C4'-P energy: -52.488 bonds (distance) P-C4' energy: -62.088 flat angles C4'-P-C4' energy: -52.072 flat angles P-C4'-P energy: -30.792 tors. eta vs tors. theta energy: -8.959 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: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1121.702443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.702443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.702443 (E_RNA) where: Base-Base interactions energy: -741.116 where: short stacking energy: -348.763 Base-Backbone interact. energy: -0.360 local terms energy: -380.226706 where: bonds (distance) C4'-P energy: -73.584 bonds (distance) P-C4' energy: -75.810 flat angles C4'-P-C4' energy: -72.501 flat angles P-C4'-P energy: -50.583 tors. eta vs tors. theta energy: -107.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1060.092516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.092516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.092516 (E_RNA) where: Base-Base interactions energy: -706.442 where: short stacking energy: -305.372 Base-Backbone interact. energy: 2.154 local terms energy: -355.804485 where: bonds (distance) C4'-P energy: -65.843 bonds (distance) P-C4' energy: -71.251 flat angles C4'-P-C4' energy: -77.073 flat angles P-C4'-P energy: -48.285 tors. eta vs tors. theta energy: -93.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -959.792662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.792662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.792662 (E_RNA) where: Base-Base interactions energy: -645.279 where: short stacking energy: -304.520 Base-Backbone interact. energy: 1.661 local terms energy: -316.174097 where: bonds (distance) C4'-P energy: -51.170 bonds (distance) P-C4' energy: -68.172 flat angles C4'-P-C4' energy: -70.162 flat angles P-C4'-P energy: -47.011 tors. eta vs tors. theta energy: -79.660 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: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -920.073482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.073482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.073482 (E_RNA) where: Base-Base interactions energy: -620.425 where: short stacking energy: -258.486 Base-Backbone interact. energy: 0.264 local terms energy: -299.912815 where: bonds (distance) C4'-P energy: -62.990 bonds (distance) P-C4' energy: -68.968 flat angles C4'-P-C4' energy: -69.074 flat angles P-C4'-P energy: -37.129 tors. eta vs tors. theta energy: -61.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -759.236335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.236335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.236335 (E_RNA) where: Base-Base interactions energy: -462.656 where: short stacking energy: -234.290 Base-Backbone interact. energy: 3.312 local terms energy: -299.892427 where: bonds (distance) C4'-P energy: -57.082 bonds (distance) P-C4' energy: -76.468 flat angles C4'-P-C4' energy: -66.834 flat angles P-C4'-P energy: -43.874 tors. eta vs tors. theta energy: -55.634 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: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -731.023560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.023560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.023560 (E_RNA) where: Base-Base interactions energy: -430.350 where: short stacking energy: -214.778 Base-Backbone interact. energy: -1.329 local terms energy: -299.345294 where: bonds (distance) C4'-P energy: -59.439 bonds (distance) P-C4' energy: -65.801 flat angles C4'-P-C4' energy: -73.112 flat angles P-C4'-P energy: -49.432 tors. eta vs tors. theta energy: -51.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -598.261073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.261073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.261073 (E_RNA) where: Base-Base interactions energy: -354.029 where: short stacking energy: -167.711 Base-Backbone interact. energy: -0.783 local terms energy: -243.449008 where: bonds (distance) C4'-P energy: -53.640 bonds (distance) P-C4' energy: -63.014 flat angles C4'-P-C4' energy: -58.884 flat angles P-C4'-P energy: -40.661 tors. eta vs tors. theta energy: -27.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -429.378208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.378208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.378208 (E_RNA) where: Base-Base interactions energy: -218.040 where: short stacking energy: -126.850 Base-Backbone interact. energy: -1.155 local terms energy: -210.183546 where: bonds (distance) C4'-P energy: -55.527 bonds (distance) P-C4' energy: -51.644 flat angles C4'-P-C4' energy: -51.974 flat angles P-C4'-P energy: -27.556 tors. eta vs tors. theta energy: -23.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -449.319492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.319492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.319492 (E_RNA) where: Base-Base interactions energy: -230.638 where: short stacking energy: -145.300 Base-Backbone interact. energy: 0.521 local terms energy: -219.202171 where: bonds (distance) C4'-P energy: -57.256 bonds (distance) P-C4' energy: -56.505 flat angles C4'-P-C4' energy: -54.027 flat angles P-C4'-P energy: -30.536 tors. eta vs tors. theta energy: -20.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -286.237825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.237825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.237825 (E_RNA) where: Base-Base interactions energy: -96.760 where: short stacking energy: -80.356 Base-Backbone interact. energy: -3.103 local terms energy: -186.374788 where: bonds (distance) C4'-P energy: -58.943 bonds (distance) P-C4' energy: -54.946 flat angles C4'-P-C4' energy: -46.552 flat angles P-C4'-P energy: -18.047 tors. eta vs tors. theta energy: -7.887 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: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1118.281468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.281468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.281468 (E_RNA) where: Base-Base interactions energy: -745.089 where: short stacking energy: -355.026 Base-Backbone interact. energy: -0.365 local terms energy: -372.827999 where: bonds (distance) C4'-P energy: -67.318 bonds (distance) P-C4' energy: -66.830 flat angles C4'-P-C4' energy: -76.631 flat angles P-C4'-P energy: -54.430 tors. eta vs tors. theta energy: -107.619 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: 2, replica: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1029.167495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.167495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.167495 (E_RNA) where: Base-Base interactions energy: -681.293 where: short stacking energy: -305.945 Base-Backbone interact. energy: -1.279 local terms energy: -346.594974 where: bonds (distance) C4'-P energy: -58.813 bonds (distance) P-C4' energy: -67.784 flat angles C4'-P-C4' energy: -79.922 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: -92.024 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: 8 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -989.099221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.099221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.099221 (E_RNA) where: Base-Base interactions energy: -658.452 where: short stacking energy: -289.383 Base-Backbone interact. energy: -2.629 local terms energy: -328.018595 where: bonds (distance) C4'-P energy: -67.590 bonds (distance) P-C4' energy: -62.443 flat angles C4'-P-C4' energy: -68.580 flat angles P-C4'-P energy: -45.745 tors. eta vs tors. theta energy: -83.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -942.585165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.585165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.585165 (E_RNA) where: Base-Base interactions energy: -635.048 where: short stacking energy: -257.956 Base-Backbone interact. energy: -1.276 local terms energy: -306.261850 where: bonds (distance) C4'-P energy: -67.882 bonds (distance) P-C4' energy: -62.927 flat angles C4'-P-C4' energy: -64.647 flat angles P-C4'-P energy: -48.230 tors. eta vs tors. theta energy: -62.576 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: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -765.585285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.585285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.585285 (E_RNA) where: Base-Base interactions energy: -491.442 where: short stacking energy: -259.469 Base-Backbone interact. energy: 0.553 local terms energy: -274.696136 where: bonds (distance) C4'-P energy: -50.748 bonds (distance) P-C4' energy: -60.576 flat angles C4'-P-C4' energy: -59.667 flat angles P-C4'-P energy: -48.322 tors. eta vs tors. theta energy: -55.383 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: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -730.754653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.754653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.754653 (E_RNA) where: Base-Base interactions energy: -438.850 where: short stacking energy: -213.601 Base-Backbone interact. energy: -0.806 local terms energy: -291.098435 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -62.687 flat angles C4'-P-C4' energy: -70.994 flat angles P-C4'-P energy: -45.356 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: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -624.873013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.873013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.873013 (E_RNA) where: Base-Base interactions energy: -358.310 where: short stacking energy: -183.339 Base-Backbone interact. energy: -0.649 local terms energy: -265.914520 where: bonds (distance) C4'-P energy: -58.427 bonds (distance) P-C4' energy: -65.795 flat angles C4'-P-C4' energy: -69.407 flat angles P-C4'-P energy: -40.380 tors. eta vs tors. theta energy: -31.906 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: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -486.723594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.723594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.723594 (E_RNA) where: Base-Base interactions energy: -249.793 where: short stacking energy: -151.844 Base-Backbone interact. energy: -1.790 local terms energy: -235.141089 where: bonds (distance) C4'-P energy: -60.350 bonds (distance) P-C4' energy: -68.165 flat angles C4'-P-C4' energy: -44.172 flat angles P-C4'-P energy: -34.133 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: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -421.176785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.176785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.176785 (E_RNA) where: Base-Base interactions energy: -217.165 where: short stacking energy: -111.891 Base-Backbone interact. energy: -1.026 local terms energy: -202.985497 where: bonds (distance) C4'-P energy: -52.764 bonds (distance) P-C4' energy: -54.664 flat angles C4'-P-C4' energy: -53.356 flat angles P-C4'-P energy: -39.230 tors. eta vs tors. theta energy: -2.971 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: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -267.573784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.573784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.573784 (E_RNA) where: Base-Base interactions energy: -93.269 where: short stacking energy: -86.848 Base-Backbone interact. energy: 2.513 local terms energy: -176.816883 where: bonds (distance) C4'-P energy: -55.471 bonds (distance) P-C4' energy: -63.904 flat angles C4'-P-C4' energy: -36.527 flat angles P-C4'-P energy: -29.500 tors. eta vs tors. theta energy: 8.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1127.530397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.530397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.530397 (E_RNA) where: Base-Base interactions energy: -742.683 where: short stacking energy: -361.624 Base-Backbone interact. energy: -0.866 local terms energy: -383.980802 where: bonds (distance) C4'-P energy: -70.001 bonds (distance) P-C4' energy: -71.473 flat angles C4'-P-C4' energy: -83.192 flat angles P-C4'-P energy: -56.414 tors. eta vs tors. theta energy: -102.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1021.765298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.765298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.765298 (E_RNA) where: Base-Base interactions energy: -678.932 where: short stacking energy: -321.239 Base-Backbone interact. energy: 1.034 local terms energy: -343.867478 where: bonds (distance) C4'-P energy: -68.042 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -75.548 flat angles P-C4'-P energy: -56.471 tors. eta vs tors. theta energy: -82.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1027.381971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.381971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.381971 (E_RNA) where: Base-Base interactions energy: -689.750 where: short stacking energy: -299.894 Base-Backbone interact. energy: 0.693 local terms energy: -338.325357 where: bonds (distance) C4'-P energy: -56.988 bonds (distance) P-C4' energy: -60.475 flat angles C4'-P-C4' energy: -80.635 flat angles P-C4'-P energy: -59.472 tors. eta vs tors. theta energy: -80.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -938.545182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.545182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.545182 (E_RNA) where: Base-Base interactions energy: -628.741 where: short stacking energy: -282.229 Base-Backbone interact. energy: 3.708 local terms energy: -313.512374 where: bonds (distance) C4'-P energy: -53.852 bonds (distance) P-C4' energy: -66.629 flat angles C4'-P-C4' energy: -80.628 flat angles P-C4'-P energy: -37.383 tors. eta vs tors. theta energy: -75.020 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: 54 Temperature: 1.100000 Total energy: -734.805006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.805006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.805006 (E_RNA) where: Base-Base interactions energy: -458.962 where: short stacking energy: -243.766 Base-Backbone interact. energy: -1.006 local terms energy: -274.837497 where: bonds (distance) C4'-P energy: -60.544 bonds (distance) P-C4' energy: -58.957 flat angles C4'-P-C4' energy: -64.173 flat angles P-C4'-P energy: -31.330 tors. eta vs tors. theta energy: -59.833 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: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -752.116554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.116554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.116554 (E_RNA) where: Base-Base interactions energy: -486.112 where: short stacking energy: -225.837 Base-Backbone interact. energy: 1.866 local terms energy: -267.870619 where: bonds (distance) C4'-P energy: -43.937 bonds (distance) P-C4' energy: -73.907 flat angles C4'-P-C4' energy: -58.486 flat angles P-C4'-P energy: -43.241 tors. eta vs tors. theta energy: -48.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -603.654190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.654190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.654190 (E_RNA) where: Base-Base interactions energy: -351.256 where: short stacking energy: -180.028 Base-Backbone interact. energy: -2.069 local terms energy: -250.329024 where: bonds (distance) C4'-P energy: -54.152 bonds (distance) P-C4' energy: -66.257 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -38.114 tors. eta vs tors. theta energy: -28.598 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: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -460.541592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.541592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.541592 (E_RNA) where: Base-Base interactions energy: -243.743 where: short stacking energy: -127.204 Base-Backbone interact. energy: 5.724 local terms energy: -222.522738 where: bonds (distance) C4'-P energy: -66.397 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -50.028 flat angles P-C4'-P energy: -33.066 tors. eta vs tors. theta energy: -9.715 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: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -359.238798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.238798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.238798 (E_RNA) where: Base-Base interactions energy: -164.728 where: short stacking energy: -115.126 Base-Backbone interact. energy: -0.967 local terms energy: -193.543886 where: bonds (distance) C4'-P energy: -56.449 bonds (distance) P-C4' energy: -56.924 flat angles C4'-P-C4' energy: -50.306 flat angles P-C4'-P energy: -27.412 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -310.666293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.666293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.666293 (E_RNA) where: Base-Base interactions energy: -165.421 where: short stacking energy: -98.254 Base-Backbone interact. energy: 0.476 local terms energy: -145.721063 where: bonds (distance) C4'-P energy: -44.872 bonds (distance) P-C4' energy: -46.606 flat angles C4'-P-C4' energy: -31.654 flat angles P-C4'-P energy: -23.171 tors. eta vs tors. theta energy: 0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1133.194826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.194826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.194826 (E_RNA) where: Base-Base interactions energy: -747.256 where: short stacking energy: -352.737 Base-Backbone interact. energy: 0.405 local terms energy: -386.343837 where: bonds (distance) C4'-P energy: -68.032 bonds (distance) P-C4' energy: -67.324 flat angles C4'-P-C4' energy: -82.913 flat angles P-C4'-P energy: -59.413 tors. eta vs tors. theta energy: -108.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1025.110443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.110443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.110443 (E_RNA) where: Base-Base interactions energy: -685.973 where: short stacking energy: -299.997 Base-Backbone interact. energy: -2.148 local terms energy: -336.989434 where: bonds (distance) C4'-P energy: -69.010 bonds (distance) P-C4' energy: -70.624 flat angles C4'-P-C4' energy: -69.017 flat angles P-C4'-P energy: -45.495 tors. eta vs tors. theta energy: -82.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1001.582040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.582040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.582040 (E_RNA) where: Base-Base interactions energy: -682.501 where: short stacking energy: -306.118 Base-Backbone interact. energy: -0.681 local terms energy: -318.399282 where: bonds (distance) C4'-P energy: -67.896 bonds (distance) P-C4' energy: -69.669 flat angles C4'-P-C4' energy: -71.229 flat angles P-C4'-P energy: -35.292 tors. eta vs tors. theta energy: -74.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -930.242286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.242286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.242286 (E_RNA) where: Base-Base interactions energy: -611.705 where: short stacking energy: -279.571 Base-Backbone interact. energy: -0.516 local terms energy: -318.021029 where: bonds (distance) C4'-P energy: -67.777 bonds (distance) P-C4' energy: -62.911 flat angles C4'-P-C4' energy: -77.697 flat angles P-C4'-P energy: -33.667 tors. eta vs tors. theta energy: -75.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -764.512789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.512789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.512789 (E_RNA) where: Base-Base interactions energy: -460.174 where: short stacking energy: -234.264 Base-Backbone interact. energy: -0.193 local terms energy: -304.146166 where: bonds (distance) C4'-P energy: -66.025 bonds (distance) P-C4' energy: -63.755 flat angles C4'-P-C4' energy: -69.964 flat angles P-C4'-P energy: -45.250 tors. eta vs tors. theta energy: -59.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -771.489177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.489177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.489177 (E_RNA) where: Base-Base interactions energy: -504.866 where: short stacking energy: -223.140 Base-Backbone interact. energy: 2.994 local terms energy: -269.617165 where: bonds (distance) C4'-P energy: -59.541 bonds (distance) P-C4' energy: -58.315 flat angles C4'-P-C4' energy: -56.986 flat angles P-C4'-P energy: -39.791 tors. eta vs tors. theta energy: -54.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -578.281982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.281982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.281982 (E_RNA) where: Base-Base interactions energy: -327.490 where: short stacking energy: -178.965 Base-Backbone interact. energy: -0.671 local terms energy: -250.120665 where: bonds (distance) C4'-P energy: -65.618 bonds (distance) P-C4' energy: -70.845 flat angles C4'-P-C4' energy: -55.771 flat angles P-C4'-P energy: -34.584 tors. eta vs tors. theta energy: -23.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -456.971200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.971200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.971200 (E_RNA) where: Base-Base interactions energy: -249.828 where: short stacking energy: -121.229 Base-Backbone interact. energy: 1.866 local terms energy: -209.009420 where: bonds (distance) C4'-P energy: -47.822 bonds (distance) P-C4' energy: -66.393 flat angles C4'-P-C4' energy: -46.170 flat angles P-C4'-P energy: -39.997 tors. eta vs tors. theta energy: -8.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -333.231309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.231309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.231309 (E_RNA) where: Base-Base interactions energy: -142.373 where: short stacking energy: -85.047 Base-Backbone interact. energy: -1.285 local terms energy: -189.573431 where: bonds (distance) C4'-P energy: -64.104 bonds (distance) P-C4' energy: -63.696 flat angles C4'-P-C4' energy: -49.816 flat angles P-C4'-P energy: -22.947 tors. eta vs tors. theta energy: 10.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -298.542686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.542686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.542686 (E_RNA) where: Base-Base interactions energy: -100.833 where: short stacking energy: -91.657 Base-Backbone interact. energy: 5.296 local terms energy: -203.005809 where: bonds (distance) C4'-P energy: -61.407 bonds (distance) P-C4' energy: -58.956 flat angles C4'-P-C4' energy: -47.921 flat angles P-C4'-P energy: -26.140 tors. eta vs tors. theta energy: -8.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1157.413561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.413561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.413561 (E_RNA) where: Base-Base interactions energy: -760.362 where: short stacking energy: -382.584 Base-Backbone interact. energy: -1.435 local terms energy: -395.616974 where: bonds (distance) C4'-P energy: -67.885 bonds (distance) P-C4' energy: -77.063 flat angles C4'-P-C4' energy: -78.539 flat angles P-C4'-P energy: -53.133 tors. eta vs tors. theta energy: -118.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1048.934947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.934947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.934947 (E_RNA) where: Base-Base interactions energy: -706.178 where: short stacking energy: -324.919 Base-Backbone interact. energy: -0.716 local terms energy: -342.040859 where: bonds (distance) C4'-P energy: -67.820 bonds (distance) P-C4' energy: -71.962 flat angles C4'-P-C4' energy: -74.839 flat angles P-C4'-P energy: -47.580 tors. eta vs tors. theta energy: -79.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1010.330216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.330216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.330216 (E_RNA) where: Base-Base interactions energy: -665.081 where: short stacking energy: -285.055 Base-Backbone interact. energy: -1.455 local terms energy: -343.794172 where: bonds (distance) C4'-P energy: -80.764 bonds (distance) P-C4' energy: -59.168 flat angles C4'-P-C4' energy: -73.364 flat angles P-C4'-P energy: -48.326 tors. eta vs tors. theta energy: -82.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -949.903864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.903864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.903864 (E_RNA) where: Base-Base interactions energy: -621.246 where: short stacking energy: -281.683 Base-Backbone interact. energy: 1.267 local terms energy: -329.925757 where: bonds (distance) C4'-P energy: -64.591 bonds (distance) P-C4' energy: -70.237 flat angles C4'-P-C4' energy: -69.790 flat angles P-C4'-P energy: -44.030 tors. eta vs tors. theta energy: -81.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -812.321888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.321888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.321888 (E_RNA) where: Base-Base interactions energy: -531.253 where: short stacking energy: -230.308 Base-Backbone interact. energy: 1.139 local terms energy: -282.208356 where: bonds (distance) C4'-P energy: -51.985 bonds (distance) P-C4' energy: -67.594 flat angles C4'-P-C4' energy: -68.980 flat angles P-C4'-P energy: -39.548 tors. eta vs tors. theta energy: -54.101 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: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -708.454656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.454656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.454656 (E_RNA) where: Base-Base interactions energy: -442.873 where: short stacking energy: -223.043 Base-Backbone interact. energy: -0.339 local terms energy: -265.243228 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -59.160 flat angles C4'-P-C4' energy: -63.586 flat angles P-C4'-P energy: -42.413 tors. eta vs tors. theta energy: -40.955 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: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -583.982788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.982788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.982788 (E_RNA) where: Base-Base interactions energy: -354.801 where: short stacking energy: -183.705 Base-Backbone interact. energy: -0.231 local terms energy: -228.950743 where: bonds (distance) C4'-P energy: -52.512 bonds (distance) P-C4' energy: -62.912 flat angles C4'-P-C4' energy: -63.665 flat angles P-C4'-P energy: -32.099 tors. eta vs tors. theta energy: -17.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -479.024824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.024824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.024824 (E_RNA) where: Base-Base interactions energy: -245.144 where: short stacking energy: -152.638 Base-Backbone interact. energy: 3.439 local terms energy: -237.319662 where: bonds (distance) C4'-P energy: -67.733 bonds (distance) P-C4' energy: -73.238 flat angles C4'-P-C4' energy: -51.760 flat angles P-C4'-P energy: -24.748 tors. eta vs tors. theta energy: -19.841 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: 56 Temperature: 1.300000 Total energy: -365.195260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.195260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.195260 (E_RNA) where: Base-Base interactions energy: -161.662 where: short stacking energy: -117.626 Base-Backbone interact. energy: 0.012 local terms energy: -203.546046 where: bonds (distance) C4'-P energy: -39.827 bonds (distance) P-C4' energy: -65.619 flat angles C4'-P-C4' energy: -55.485 flat angles P-C4'-P energy: -31.322 tors. eta vs tors. theta energy: -11.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -296.037594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.037594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.037594 (E_RNA) where: Base-Base interactions energy: -112.136 where: short stacking energy: -95.893 Base-Backbone interact. energy: -0.277 local terms energy: -183.625410 where: bonds (distance) C4'-P energy: -54.943 bonds (distance) P-C4' energy: -55.719 flat angles C4'-P-C4' energy: -44.875 flat angles P-C4'-P energy: -18.109 tors. eta vs tors. theta energy: -9.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1138.546160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.546160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.546160 (E_RNA) where: Base-Base interactions energy: -761.887 where: short stacking energy: -349.023 Base-Backbone interact. energy: -0.570 local terms energy: -376.088842 where: bonds (distance) C4'-P energy: -64.992 bonds (distance) P-C4' energy: -75.774 flat angles C4'-P-C4' energy: -70.046 flat angles P-C4'-P energy: -49.689 tors. eta vs tors. theta energy: -115.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1045.283838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.283838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.283838 (E_RNA) where: Base-Base interactions energy: -703.252 where: short stacking energy: -310.513 Base-Backbone interact. energy: -0.875 local terms energy: -341.156798 where: bonds (distance) C4'-P energy: -69.221 bonds (distance) P-C4' energy: -69.665 flat angles C4'-P-C4' energy: -73.429 flat angles P-C4'-P energy: -48.300 tors. eta vs tors. theta energy: -80.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1006.570116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.570116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.570116 (E_RNA) where: Base-Base interactions energy: -675.550 where: short stacking energy: -310.415 Base-Backbone interact. energy: -1.105 local terms energy: -329.915888 where: bonds (distance) C4'-P energy: -64.363 bonds (distance) P-C4' energy: -64.165 flat angles C4'-P-C4' energy: -59.988 flat angles P-C4'-P energy: -50.668 tors. eta vs tors. theta energy: -90.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -947.601338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.601338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.601338 (E_RNA) where: Base-Base interactions energy: -609.607 where: short stacking energy: -277.478 Base-Backbone interact. energy: -0.370 local terms energy: -337.624463 where: bonds (distance) C4'-P energy: -66.343 bonds (distance) P-C4' energy: -70.144 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: -80.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -835.300693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.300693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.300693 (E_RNA) where: Base-Base interactions energy: -545.896 where: short stacking energy: -255.757 Base-Backbone interact. energy: -1.138 local terms energy: -288.266271 where: bonds (distance) C4'-P energy: -55.685 bonds (distance) P-C4' energy: -57.876 flat angles C4'-P-C4' energy: -74.442 flat angles P-C4'-P energy: -37.893 tors. eta vs tors. theta energy: -62.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -741.970228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.970228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.970228 (E_RNA) where: Base-Base interactions energy: -477.971 where: short stacking energy: -225.079 Base-Backbone interact. energy: -1.996 local terms energy: -262.003102 where: bonds (distance) C4'-P energy: -57.188 bonds (distance) P-C4' energy: -57.658 flat angles C4'-P-C4' energy: -59.007 flat angles P-C4'-P energy: -38.836 tors. eta vs tors. theta energy: -49.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -615.676993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.676993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.676993 (E_RNA) where: Base-Base interactions energy: -381.796 where: short stacking energy: -191.974 Base-Backbone interact. energy: 1.682 local terms energy: -235.563240 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -61.326 flat angles C4'-P-C4' energy: -56.043 flat angles P-C4'-P energy: -31.241 tors. eta vs tors. theta energy: -28.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -432.841989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.841989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.841989 (E_RNA) where: Base-Base interactions energy: -214.021 where: short stacking energy: -126.828 Base-Backbone interact. energy: -0.953 local terms energy: -217.868979 where: bonds (distance) C4'-P energy: -65.443 bonds (distance) P-C4' energy: -62.780 flat angles C4'-P-C4' energy: -47.965 flat angles P-C4'-P energy: -29.953 tors. eta vs tors. theta energy: -11.730 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: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -375.974245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.974245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.974245 (E_RNA) where: Base-Base interactions energy: -181.083 where: short stacking energy: -135.632 Base-Backbone interact. energy: 0.883 local terms energy: -195.774394 where: bonds (distance) C4'-P energy: -49.022 bonds (distance) P-C4' energy: -66.225 flat angles C4'-P-C4' energy: -49.126 flat angles P-C4'-P energy: -28.635 tors. eta vs tors. theta energy: -2.766 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: 57 Temperature: 1.350000 Total energy: -302.369503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.369503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.369503 (E_RNA) where: Base-Base interactions energy: -134.591 where: short stacking energy: -81.370 Base-Backbone interact. energy: -2.848 local terms energy: -164.930661 where: bonds (distance) C4'-P energy: -55.106 bonds (distance) P-C4' energy: -45.587 flat angles C4'-P-C4' energy: -44.084 flat angles P-C4'-P energy: -29.216 tors. eta vs tors. theta energy: 9.062 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: 58 Temperature: 0.900000 Total energy: -1150.969157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.969157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.969157 (E_RNA) where: Base-Base interactions energy: -772.052 where: short stacking energy: -362.793 Base-Backbone interact. energy: -1.744 local terms energy: -377.173772 where: bonds (distance) C4'-P energy: -64.525 bonds (distance) P-C4' energy: -75.188 flat angles C4'-P-C4' energy: -76.028 flat angles P-C4'-P energy: -49.287 tors. eta vs tors. theta energy: -112.146 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: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1051.971886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.971886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.971886 (E_RNA) where: Base-Base interactions energy: -718.236 where: short stacking energy: -334.061 Base-Backbone interact. energy: -1.470 local terms energy: -332.265882 where: bonds (distance) C4'-P energy: -64.358 bonds (distance) P-C4' energy: -54.474 flat angles C4'-P-C4' energy: -74.688 flat angles P-C4'-P energy: -49.398 tors. eta vs tors. theta energy: -89.347 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: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -997.437253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.437253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.437253 (E_RNA) where: Base-Base interactions energy: -660.344 where: short stacking energy: -284.130 Base-Backbone interact. energy: -1.194 local terms energy: -335.899936 where: bonds (distance) C4'-P energy: -65.190 bonds (distance) P-C4' energy: -77.569 flat angles C4'-P-C4' energy: -69.039 flat angles P-C4'-P energy: -45.662 tors. eta vs tors. theta energy: -78.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -936.637825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.637825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.637825 (E_RNA) where: Base-Base interactions energy: -620.518 where: short stacking energy: -273.335 Base-Backbone interact. energy: 1.161 local terms energy: -317.280774 where: bonds (distance) C4'-P energy: -66.725 bonds (distance) P-C4' energy: -63.209 flat angles C4'-P-C4' energy: -69.575 flat angles P-C4'-P energy: -44.833 tors. eta vs tors. theta energy: -72.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -835.406596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.406596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.406596 (E_RNA) where: Base-Base interactions energy: -538.123 where: short stacking energy: -255.682 Base-Backbone interact. energy: -0.899 local terms energy: -296.384764 where: bonds (distance) C4'-P energy: -68.446 bonds (distance) P-C4' energy: -63.647 flat angles C4'-P-C4' energy: -72.723 flat angles P-C4'-P energy: -36.553 tors. eta vs tors. theta energy: -55.015 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: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -710.578240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.578240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.578240 (E_RNA) where: Base-Base interactions energy: -431.853 where: short stacking energy: -222.147 Base-Backbone interact. energy: -0.605 local terms energy: -278.120197 where: bonds (distance) C4'-P energy: -65.334 bonds (distance) P-C4' energy: -67.495 flat angles C4'-P-C4' energy: -55.790 flat angles P-C4'-P energy: -39.585 tors. eta vs tors. theta energy: -49.917 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: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -586.580786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.580786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.580786 (E_RNA) where: Base-Base interactions energy: -334.328 where: short stacking energy: -158.534 Base-Backbone interact. energy: -1.406 local terms energy: -250.847347 where: bonds (distance) C4'-P energy: -60.195 bonds (distance) P-C4' energy: -61.052 flat angles C4'-P-C4' energy: -56.139 flat angles P-C4'-P energy: -36.804 tors. eta vs tors. theta energy: -36.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -466.857608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.857608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.857608 (E_RNA) where: Base-Base interactions energy: -233.954 where: short stacking energy: -129.734 Base-Backbone interact. energy: -1.898 local terms energy: -231.005562 where: bonds (distance) C4'-P energy: -54.639 bonds (distance) P-C4' energy: -61.577 flat angles C4'-P-C4' energy: -56.153 flat angles P-C4'-P energy: -40.057 tors. eta vs tors. theta energy: -18.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -386.986383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.986383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.986383 (E_RNA) where: Base-Base interactions energy: -170.960 where: short stacking energy: -117.777 Base-Backbone interact. energy: -0.096 local terms energy: -215.930804 where: bonds (distance) C4'-P energy: -54.337 bonds (distance) P-C4' energy: -67.729 flat angles C4'-P-C4' energy: -52.882 flat angles P-C4'-P energy: -35.861 tors. eta vs tors. theta energy: -5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -326.301783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.301783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.301783 (E_RNA) where: Base-Base interactions energy: -131.275 where: short stacking energy: -92.353 Base-Backbone interact. energy: 2.814 local terms energy: -197.840731 where: bonds (distance) C4'-P energy: -50.474 bonds (distance) P-C4' energy: -62.538 flat angles C4'-P-C4' energy: -54.980 flat angles P-C4'-P energy: -32.715 tors. eta vs tors. theta energy: 2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1133.276485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.276485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.276485 (E_RNA) where: Base-Base interactions energy: -750.593 where: short stacking energy: -352.332 Base-Backbone interact. energy: 0.151 local terms energy: -382.834098 where: bonds (distance) C4'-P energy: -76.850 bonds (distance) P-C4' energy: -72.639 flat angles C4'-P-C4' energy: -73.587 flat angles P-C4'-P energy: -54.110 tors. eta vs tors. theta energy: -105.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1064.981592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.981592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.981592 (E_RNA) where: Base-Base interactions energy: -708.766 where: short stacking energy: -333.879 Base-Backbone interact. energy: -0.574 local terms energy: -355.641912 where: bonds (distance) C4'-P energy: -71.594 bonds (distance) P-C4' energy: -75.252 flat angles C4'-P-C4' energy: -70.236 flat angles P-C4'-P energy: -47.870 tors. eta vs tors. theta energy: -90.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -987.617812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.617812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.617812 (E_RNA) where: Base-Base interactions energy: -657.535 where: short stacking energy: -274.256 Base-Backbone interact. energy: -1.584 local terms energy: -328.499440 where: bonds (distance) C4'-P energy: -66.111 bonds (distance) P-C4' energy: -67.482 flat angles C4'-P-C4' energy: -75.102 flat angles P-C4'-P energy: -40.749 tors. eta vs tors. theta energy: -79.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -968.867776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.867776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.867776 (E_RNA) where: Base-Base interactions energy: -653.156 where: short stacking energy: -307.016 Base-Backbone interact. energy: -1.229 local terms energy: -314.482479 where: bonds (distance) C4'-P energy: -68.514 bonds (distance) P-C4' energy: -58.829 flat angles C4'-P-C4' energy: -74.232 flat angles P-C4'-P energy: -38.359 tors. eta vs tors. theta energy: -74.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -853.563581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.563581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.563581 (E_RNA) where: Base-Base interactions energy: -550.147 where: short stacking energy: -247.037 Base-Backbone interact. energy: -1.013 local terms energy: -302.403742 where: bonds (distance) C4'-P energy: -63.328 bonds (distance) P-C4' energy: -70.680 flat angles C4'-P-C4' energy: -63.775 flat angles P-C4'-P energy: -45.993 tors. eta vs tors. theta energy: -58.628 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: 7 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -707.725877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.725877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.725877 (E_RNA) where: Base-Base interactions energy: -407.060 where: short stacking energy: -201.643 Base-Backbone interact. energy: -1.354 local terms energy: -299.311546 where: bonds (distance) C4'-P energy: -62.155 bonds (distance) P-C4' energy: -72.992 flat angles C4'-P-C4' energy: -67.851 flat angles P-C4'-P energy: -49.721 tors. eta vs tors. theta energy: -46.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -602.239764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.239764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.239764 (E_RNA) where: Base-Base interactions energy: -359.090 where: short stacking energy: -188.371 Base-Backbone interact. energy: 2.222 local terms energy: -245.371759 where: bonds (distance) C4'-P energy: -62.632 bonds (distance) P-C4' energy: -60.228 flat angles C4'-P-C4' energy: -42.603 flat angles P-C4'-P energy: -40.931 tors. eta vs tors. theta energy: -38.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -456.378073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.378073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.378073 (E_RNA) where: Base-Base interactions energy: -248.161 where: short stacking energy: -140.595 Base-Backbone interact. energy: 0.803 local terms energy: -209.020702 where: bonds (distance) C4'-P energy: -58.620 bonds (distance) P-C4' energy: -53.922 flat angles C4'-P-C4' energy: -41.271 flat angles P-C4'-P energy: -40.744 tors. eta vs tors. theta energy: -14.464 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: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -351.296606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.296606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.296606 (E_RNA) where: Base-Base interactions energy: -148.314 where: short stacking energy: -120.255 Base-Backbone interact. energy: 1.200 local terms energy: -204.183066 where: bonds (distance) C4'-P energy: -49.394 bonds (distance) P-C4' energy: -63.516 flat angles C4'-P-C4' energy: -50.959 flat angles P-C4'-P energy: -29.468 tors. eta vs tors. theta energy: -10.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -286.564171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.564171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.564171 (E_RNA) where: Base-Base interactions energy: -110.035 where: short stacking energy: -108.843 Base-Backbone interact. energy: 2.190 local terms energy: -178.719419 where: bonds (distance) C4'-P energy: -51.739 bonds (distance) P-C4' energy: -57.338 flat angles C4'-P-C4' energy: -41.744 flat angles P-C4'-P energy: -27.492 tors. eta vs tors. theta energy: -0.407 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: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1153.721540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.721540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.721540 (E_RNA) where: Base-Base interactions energy: -769.402 where: short stacking energy: -365.061 Base-Backbone interact. energy: -1.399 local terms energy: -382.921264 where: bonds (distance) C4'-P energy: -69.352 bonds (distance) P-C4' energy: -69.962 flat angles C4'-P-C4' energy: -78.245 flat angles P-C4'-P energy: -52.369 tors. eta vs tors. theta energy: -112.993 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: 60 Temperature: 0.950000 Total energy: -1047.832039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.832039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.832039 (E_RNA) where: Base-Base interactions energy: -715.764 where: short stacking energy: -323.474 Base-Backbone interact. energy: -0.697 local terms energy: -331.371620 where: bonds (distance) C4'-P energy: -55.031 bonds (distance) P-C4' energy: -58.713 flat angles C4'-P-C4' energy: -84.694 flat angles P-C4'-P energy: -52.576 tors. eta vs tors. theta energy: -80.357 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: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -976.648389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.648389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.648389 (E_RNA) where: Base-Base interactions energy: -647.812 where: short stacking energy: -286.539 Base-Backbone interact. energy: -0.394 local terms energy: -328.442050 where: bonds (distance) C4'-P energy: -55.858 bonds (distance) P-C4' energy: -74.891 flat angles C4'-P-C4' energy: -71.346 flat angles P-C4'-P energy: -48.505 tors. eta vs tors. theta energy: -77.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -963.435618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.435618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.435618 (E_RNA) where: Base-Base interactions energy: -643.224 where: short stacking energy: -297.518 Base-Backbone interact. energy: -1.420 local terms energy: -318.791775 where: bonds (distance) C4'-P energy: -55.499 bonds (distance) P-C4' energy: -67.470 flat angles C4'-P-C4' energy: -80.651 flat angles P-C4'-P energy: -42.389 tors. eta vs tors. theta energy: -72.782 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: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -888.941607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.941607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.941607 (E_RNA) where: Base-Base interactions energy: -579.018 where: short stacking energy: -268.786 Base-Backbone interact. energy: 0.078 local terms energy: -310.001001 where: bonds (distance) C4'-P energy: -62.552 bonds (distance) P-C4' energy: -60.355 flat angles C4'-P-C4' energy: -64.875 flat angles P-C4'-P energy: -54.451 tors. eta vs tors. theta energy: -67.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -708.446497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.446497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.446497 (E_RNA) where: Base-Base interactions energy: -440.086 where: short stacking energy: -245.152 Base-Backbone interact. energy: 0.643 local terms energy: -269.003061 where: bonds (distance) C4'-P energy: -62.755 bonds (distance) P-C4' energy: -57.693 flat angles C4'-P-C4' energy: -56.829 flat angles P-C4'-P energy: -33.401 tors. eta vs tors. theta energy: -58.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -615.683534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.683534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.683534 (E_RNA) where: Base-Base interactions energy: -370.592 where: short stacking energy: -186.396 Base-Backbone interact. energy: -0.667 local terms energy: -244.424970 where: bonds (distance) C4'-P energy: -64.140 bonds (distance) P-C4' energy: -62.654 flat angles C4'-P-C4' energy: -55.223 flat angles P-C4'-P energy: -35.894 tors. eta vs tors. theta energy: -26.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -485.571796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.571796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.571796 (E_RNA) where: Base-Base interactions energy: -260.321 where: short stacking energy: -148.154 Base-Backbone interact. energy: -1.622 local terms energy: -223.629104 where: bonds (distance) C4'-P energy: -61.126 bonds (distance) P-C4' energy: -56.326 flat angles C4'-P-C4' energy: -59.917 flat angles P-C4'-P energy: -27.083 tors. eta vs tors. theta energy: -19.177 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: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -362.099814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.099814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.099814 (E_RNA) where: Base-Base interactions energy: -172.609 where: short stacking energy: -115.765 Base-Backbone interact. energy: 0.279 local terms energy: -189.769950 where: bonds (distance) C4'-P energy: -51.723 bonds (distance) P-C4' energy: -60.602 flat angles C4'-P-C4' energy: -52.350 flat angles P-C4'-P energy: -27.891 tors. eta vs tors. theta energy: 2.797 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: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -286.253904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.253904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.253904 (E_RNA) where: Base-Base interactions energy: -95.786 where: short stacking energy: -85.054 Base-Backbone interact. energy: 1.084 local terms energy: -191.551356 where: bonds (distance) C4'-P energy: -63.532 bonds (distance) P-C4' energy: -73.483 flat angles C4'-P-C4' energy: -34.080 flat angles P-C4'-P energy: -18.983 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1133.762396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.762396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.762396 (E_RNA) where: Base-Base interactions energy: -749.956 where: short stacking energy: -363.144 Base-Backbone interact. energy: -2.149 local terms energy: -381.656835 where: bonds (distance) C4'-P energy: -67.565 bonds (distance) P-C4' energy: -72.997 flat angles C4'-P-C4' energy: -76.577 flat angles P-C4'-P energy: -56.649 tors. eta vs tors. theta energy: -107.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1056.257688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.257688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.257688 (E_RNA) where: Base-Base interactions energy: -709.119 where: short stacking energy: -325.183 Base-Backbone interact. energy: -1.450 local terms energy: -345.688277 where: bonds (distance) C4'-P energy: -75.475 bonds (distance) P-C4' energy: -67.537 flat angles C4'-P-C4' energy: -71.632 flat angles P-C4'-P energy: -44.670 tors. eta vs tors. theta energy: -86.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1023.365094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.365094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.365094 (E_RNA) where: Base-Base interactions energy: -701.226 where: short stacking energy: -325.319 Base-Backbone interact. energy: 0.874 local terms energy: -323.012847 where: bonds (distance) C4'-P energy: -62.710 bonds (distance) P-C4' energy: -54.693 flat angles C4'-P-C4' energy: -73.341 flat angles P-C4'-P energy: -47.561 tors. eta vs tors. theta energy: -84.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -955.243254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.243254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.243254 (E_RNA) where: Base-Base interactions energy: -631.228 where: short stacking energy: -278.747 Base-Backbone interact. energy: -2.134 local terms energy: -321.882000 where: bonds (distance) C4'-P energy: -62.660 bonds (distance) P-C4' energy: -67.031 flat angles C4'-P-C4' energy: -69.521 flat angles P-C4'-P energy: -44.151 tors. eta vs tors. theta energy: -78.520 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: 1 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -877.367890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.367890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.367890 (E_RNA) where: Base-Base interactions energy: -580.945 where: short stacking energy: -263.810 Base-Backbone interact. energy: 0.879 local terms energy: -297.301235 where: bonds (distance) C4'-P energy: -59.973 bonds (distance) P-C4' energy: -51.622 flat angles C4'-P-C4' energy: -70.281 flat angles P-C4'-P energy: -42.167 tors. eta vs tors. theta energy: -73.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -705.690074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.690074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.690074 (E_RNA) where: Base-Base interactions energy: -464.350 where: short stacking energy: -233.055 Base-Backbone interact. energy: 1.325 local terms energy: -242.665202 where: bonds (distance) C4'-P energy: -52.816 bonds (distance) P-C4' energy: -59.205 flat angles C4'-P-C4' energy: -52.454 flat angles P-C4'-P energy: -36.449 tors. eta vs tors. theta energy: -41.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -598.898069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.898069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.898069 (E_RNA) where: Base-Base interactions energy: -349.408 where: short stacking energy: -169.076 Base-Backbone interact. energy: -2.559 local terms energy: -246.931871 where: bonds (distance) C4'-P energy: -61.346 bonds (distance) P-C4' energy: -51.253 flat angles C4'-P-C4' energy: -69.583 flat angles P-C4'-P energy: -37.268 tors. eta vs tors. theta energy: -27.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -532.775436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.775436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.775436 (E_RNA) where: Base-Base interactions energy: -299.873 where: short stacking energy: -156.225 Base-Backbone interact. energy: 1.036 local terms energy: -233.938058 where: bonds (distance) C4'-P energy: -53.002 bonds (distance) P-C4' energy: -65.222 flat angles C4'-P-C4' energy: -56.654 flat angles P-C4'-P energy: -31.765 tors. eta vs tors. theta energy: -27.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -390.318169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.318169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.318169 (E_RNA) where: Base-Base interactions energy: -178.736 where: short stacking energy: -114.934 Base-Backbone interact. energy: 1.168 local terms energy: -212.749852 where: bonds (distance) C4'-P energy: -50.138 bonds (distance) P-C4' energy: -60.198 flat angles C4'-P-C4' energy: -60.526 flat angles P-C4'-P energy: -34.770 tors. eta vs tors. theta energy: -7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -292.758582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.758582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.758582 (E_RNA) where: Base-Base interactions energy: -131.104 where: short stacking energy: -92.145 Base-Backbone interact. energy: 2.593 local terms energy: -164.247702 where: bonds (distance) C4'-P energy: -48.298 bonds (distance) P-C4' energy: -52.012 flat angles C4'-P-C4' energy: -46.653 flat angles P-C4'-P energy: -16.298 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: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1150.280260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.280260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.280260 (E_RNA) where: Base-Base interactions energy: -787.750 where: short stacking energy: -377.294 Base-Backbone interact. energy: -0.406 local terms energy: -362.124240 where: bonds (distance) C4'-P energy: -62.771 bonds (distance) P-C4' energy: -67.164 flat angles C4'-P-C4' energy: -73.101 flat angles P-C4'-P energy: -47.867 tors. eta vs tors. theta energy: -111.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1039.441689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.441689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.441689 (E_RNA) where: Base-Base interactions energy: -696.308 where: short stacking energy: -325.353 Base-Backbone interact. energy: -1.351 local terms energy: -341.782358 where: bonds (distance) C4'-P energy: -54.353 bonds (distance) P-C4' energy: -68.261 flat angles C4'-P-C4' energy: -72.861 flat angles P-C4'-P energy: -58.372 tors. eta vs tors. theta energy: -87.936 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: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1015.223269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.223269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.223269 (E_RNA) where: Base-Base interactions energy: -685.527 where: short stacking energy: -315.778 Base-Backbone interact. energy: -1.269 local terms energy: -328.427119 where: bonds (distance) C4'-P energy: -56.457 bonds (distance) P-C4' energy: -64.729 flat angles C4'-P-C4' energy: -68.759 flat angles P-C4'-P energy: -57.029 tors. eta vs tors. theta energy: -81.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -942.842305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.842305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.842305 (E_RNA) where: Base-Base interactions energy: -615.861 where: short stacking energy: -282.962 Base-Backbone interact. energy: -1.966 local terms energy: -325.014941 where: bonds (distance) C4'-P energy: -63.663 bonds (distance) P-C4' energy: -62.855 flat angles C4'-P-C4' energy: -76.671 flat angles P-C4'-P energy: -40.503 tors. eta vs tors. theta energy: -81.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -864.426776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.426776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.426776 (E_RNA) where: Base-Base interactions energy: -558.631 where: short stacking energy: -247.541 Base-Backbone interact. energy: -2.676 local terms energy: -303.120046 where: bonds (distance) C4'-P energy: -62.872 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -67.929 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: -62.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -733.950901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.950901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.950901 (E_RNA) where: Base-Base interactions energy: -463.025 where: short stacking energy: -226.007 Base-Backbone interact. energy: 0.277 local terms energy: -271.203471 where: bonds (distance) C4'-P energy: -67.596 bonds (distance) P-C4' energy: -47.949 flat angles C4'-P-C4' energy: -59.123 flat angles P-C4'-P energy: -46.949 tors. eta vs tors. theta energy: -49.586 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: 7, replica: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -594.344620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.344620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.344620 (E_RNA) where: Base-Base interactions energy: -344.643 where: short stacking energy: -163.836 Base-Backbone interact. energy: -1.603 local terms energy: -248.098649 where: bonds (distance) C4'-P energy: -55.933 bonds (distance) P-C4' energy: -65.446 flat angles C4'-P-C4' energy: -53.074 flat angles P-C4'-P energy: -41.226 tors. eta vs tors. theta energy: -32.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -525.394171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.394171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.394171 (E_RNA) where: Base-Base interactions energy: -287.816 where: short stacking energy: -155.578 Base-Backbone interact. energy: -2.490 local terms energy: -235.088398 where: bonds (distance) C4'-P energy: -56.019 bonds (distance) P-C4' energy: -68.127 flat angles C4'-P-C4' energy: -58.071 flat angles P-C4'-P energy: -34.499 tors. eta vs tors. theta energy: -18.372 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: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -377.197571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.197571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.197571 (E_RNA) where: Base-Base interactions energy: -184.996 where: short stacking energy: -127.511 Base-Backbone interact. energy: 1.966 local terms energy: -194.167431 where: bonds (distance) C4'-P energy: -59.309 bonds (distance) P-C4' energy: -57.187 flat angles C4'-P-C4' energy: -42.137 flat angles P-C4'-P energy: -38.092 tors. eta vs tors. theta energy: 2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -304.354287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.354287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.354287 (E_RNA) where: Base-Base interactions energy: -106.406 where: short stacking energy: -88.144 Base-Backbone interact. energy: 1.620 local terms energy: -199.568362 where: bonds (distance) C4'-P energy: -50.607 bonds (distance) P-C4' energy: -52.504 flat angles C4'-P-C4' energy: -53.177 flat angles P-C4'-P energy: -42.481 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1162.014985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.014985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.014985 (E_RNA) where: Base-Base interactions energy: -796.129 where: short stacking energy: -361.819 Base-Backbone interact. energy: -3.168 local terms energy: -362.717609 where: bonds (distance) C4'-P energy: -68.062 bonds (distance) P-C4' energy: -60.811 flat angles C4'-P-C4' energy: -81.799 flat angles P-C4'-P energy: -52.700 tors. eta vs tors. theta energy: -99.346 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: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1041.579902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.579902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.579902 (E_RNA) where: Base-Base interactions energy: -714.607 where: short stacking energy: -309.924 Base-Backbone interact. energy: 0.499 local terms energy: -327.471491 where: bonds (distance) C4'-P energy: -67.996 bonds (distance) P-C4' energy: -68.280 flat angles C4'-P-C4' energy: -68.148 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -74.510 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: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -990.018600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.018600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.018600 (E_RNA) where: Base-Base interactions energy: -665.168 where: short stacking energy: -290.882 Base-Backbone interact. energy: 5.635 local terms energy: -330.485659 where: bonds (distance) C4'-P energy: -66.220 bonds (distance) P-C4' energy: -63.164 flat angles C4'-P-C4' energy: -68.973 flat angles P-C4'-P energy: -47.383 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: 4, replica: 8 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -961.210099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.210099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.210099 (E_RNA) where: Base-Base interactions energy: -631.918 where: short stacking energy: -286.020 Base-Backbone interact. energy: -1.339 local terms energy: -327.952452 where: bonds (distance) C4'-P energy: -58.215 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -66.976 flat angles P-C4'-P energy: -54.123 tors. eta vs tors. theta energy: -79.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -853.873565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.873565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.873565 (E_RNA) where: Base-Base interactions energy: -549.933 where: short stacking energy: -266.371 Base-Backbone interact. energy: 0.004 local terms energy: -303.944521 where: bonds (distance) C4'-P energy: -59.960 bonds (distance) P-C4' energy: -67.169 flat angles C4'-P-C4' energy: -65.123 flat angles P-C4'-P energy: -47.040 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: 6, replica: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -755.744538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.744538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.744538 (E_RNA) where: Base-Base interactions energy: -461.279 where: short stacking energy: -245.140 Base-Backbone interact. energy: 0.424 local terms energy: -294.890261 where: bonds (distance) C4'-P energy: -58.955 bonds (distance) P-C4' energy: -56.216 flat angles C4'-P-C4' energy: -65.694 flat angles P-C4'-P energy: -50.305 tors. eta vs tors. theta energy: -63.721 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: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -561.215452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.215452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.215452 (E_RNA) where: Base-Base interactions energy: -325.088 where: short stacking energy: -170.566 Base-Backbone interact. energy: -1.005 local terms energy: -235.122462 where: bonds (distance) C4'-P energy: -50.392 bonds (distance) P-C4' energy: -53.052 flat angles C4'-P-C4' energy: -65.280 flat angles P-C4'-P energy: -40.932 tors. eta vs tors. theta energy: -25.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -513.734167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.734167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.734167 (E_RNA) where: Base-Base interactions energy: -281.752 where: short stacking energy: -147.689 Base-Backbone interact. energy: 0.681 local terms energy: -232.662768 where: bonds (distance) C4'-P energy: -63.446 bonds (distance) P-C4' energy: -48.248 flat angles C4'-P-C4' energy: -65.079 flat angles P-C4'-P energy: -39.097 tors. eta vs tors. theta energy: -16.793 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: 63 Temperature: 1.300000 Total energy: -390.260218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.260218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.260218 (E_RNA) where: Base-Base interactions energy: -193.062 where: short stacking energy: -104.758 Base-Backbone interact. energy: -0.892 local terms energy: -196.306692 where: bonds (distance) C4'-P energy: -48.397 bonds (distance) P-C4' energy: -54.457 flat angles C4'-P-C4' energy: -56.519 flat angles P-C4'-P energy: -36.365 tors. eta vs tors. theta energy: -0.569 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: 10, replica: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -300.716675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.716675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.716675 (E_RNA) where: Base-Base interactions energy: -89.474 where: short stacking energy: -76.535 Base-Backbone interact. energy: -0.002 local terms energy: -211.240946 where: bonds (distance) C4'-P energy: -58.785 bonds (distance) P-C4' energy: -63.228 flat angles C4'-P-C4' energy: -53.661 flat angles P-C4'-P energy: -28.543 tors. eta vs tors. theta energy: -7.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1183.013245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.013245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.013245 (E_RNA) where: Base-Base interactions energy: -799.092 where: short stacking energy: -362.350 Base-Backbone interact. energy: -1.456 local terms energy: -382.465604 where: bonds (distance) C4'-P energy: -66.789 bonds (distance) P-C4' energy: -70.665 flat angles C4'-P-C4' energy: -75.056 flat angles P-C4'-P energy: -60.118 tors. eta vs tors. theta energy: -109.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1068.510005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.510005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.510005 (E_RNA) where: Base-Base interactions energy: -720.008 where: short stacking energy: -323.789 Base-Backbone interact. energy: 3.446 local terms energy: -351.947978 where: bonds (distance) C4'-P energy: -71.798 bonds (distance) P-C4' energy: -71.402 flat angles C4'-P-C4' energy: -73.506 flat angles P-C4'-P energy: -50.103 tors. eta vs tors. theta energy: -85.139 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: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1016.310274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.310274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.310274 (E_RNA) where: Base-Base interactions energy: -669.510 where: short stacking energy: -305.775 Base-Backbone interact. energy: -0.740 local terms energy: -346.060092 where: bonds (distance) C4'-P energy: -69.547 bonds (distance) P-C4' energy: -66.482 flat angles C4'-P-C4' energy: -73.179 flat angles P-C4'-P energy: -50.028 tors. eta vs tors. theta energy: -86.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -968.622634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.622634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.622634 (E_RNA) where: Base-Base interactions energy: -652.022 where: short stacking energy: -294.469 Base-Backbone interact. energy: -0.189 local terms energy: -316.411187 where: bonds (distance) C4'-P energy: -60.940 bonds (distance) P-C4' energy: -64.215 flat angles C4'-P-C4' energy: -68.610 flat angles P-C4'-P energy: -41.957 tors. eta vs tors. theta energy: -80.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -866.694954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.694954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.694954 (E_RNA) where: Base-Base interactions energy: -576.827 where: short stacking energy: -264.890 Base-Backbone interact. energy: 3.667 local terms energy: -293.534744 where: bonds (distance) C4'-P energy: -61.093 bonds (distance) P-C4' energy: -65.368 flat angles C4'-P-C4' energy: -68.893 flat angles P-C4'-P energy: -46.944 tors. eta vs tors. theta energy: -51.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -737.558318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.558318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.558318 (E_RNA) where: Base-Base interactions energy: -451.343 where: short stacking energy: -223.920 Base-Backbone interact. energy: -1.087 local terms energy: -285.127711 where: bonds (distance) C4'-P energy: -58.448 bonds (distance) P-C4' energy: -74.522 flat angles C4'-P-C4' energy: -61.407 flat angles P-C4'-P energy: -43.242 tors. eta vs tors. theta energy: -47.509 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: 4 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -513.168225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.168225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.168225 (E_RNA) where: Base-Base interactions energy: -291.734 where: short stacking energy: -155.279 Base-Backbone interact. energy: 2.205 local terms energy: -223.640086 where: bonds (distance) C4'-P energy: -57.564 bonds (distance) P-C4' energy: -55.586 flat angles C4'-P-C4' energy: -52.787 flat angles P-C4'-P energy: -40.551 tors. eta vs tors. theta energy: -17.152 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: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -502.736685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.736685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.736685 (E_RNA) where: Base-Base interactions energy: -284.718 where: short stacking energy: -140.365 Base-Backbone interact. energy: 3.626 local terms energy: -221.644764 where: bonds (distance) C4'-P energy: -57.430 bonds (distance) P-C4' energy: -56.134 flat angles C4'-P-C4' energy: -57.919 flat angles P-C4'-P energy: -34.469 tors. eta vs tors. theta energy: -15.692 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: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -358.036602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.036602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.036602 (E_RNA) where: Base-Base interactions energy: -138.797 where: short stacking energy: -100.738 Base-Backbone interact. energy: 0.474 local terms energy: -219.713388 where: bonds (distance) C4'-P energy: -61.176 bonds (distance) P-C4' energy: -65.024 flat angles C4'-P-C4' energy: -58.664 flat angles P-C4'-P energy: -32.440 tors. eta vs tors. theta energy: -2.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -265.803996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.803996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.803996 (E_RNA) where: Base-Base interactions energy: -88.773 where: short stacking energy: -75.154 Base-Backbone interact. energy: 3.834 local terms energy: -180.865630 where: bonds (distance) C4'-P energy: -45.797 bonds (distance) P-C4' energy: -60.497 flat angles C4'-P-C4' energy: -63.836 flat angles P-C4'-P energy: -18.904 tors. eta vs tors. theta energy: 8.168 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: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1160.278463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.278463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.278463 (E_RNA) where: Base-Base interactions energy: -777.420 where: short stacking energy: -369.104 Base-Backbone interact. energy: -2.478 local terms energy: -380.381075 where: bonds (distance) C4'-P energy: -63.162 bonds (distance) P-C4' energy: -66.155 flat angles C4'-P-C4' energy: -80.057 flat angles P-C4'-P energy: -54.090 tors. eta vs tors. theta energy: -116.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1053.720517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.720517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.720517 (E_RNA) where: Base-Base interactions energy: -706.258 where: short stacking energy: -311.927 Base-Backbone interact. energy: -3.316 local terms energy: -344.146957 where: bonds (distance) C4'-P energy: -65.833 bonds (distance) P-C4' energy: -70.163 flat angles C4'-P-C4' energy: -75.545 flat angles P-C4'-P energy: -57.309 tors. eta vs tors. theta energy: -75.298 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: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -989.075862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.075862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.075862 (E_RNA) where: Base-Base interactions energy: -664.579 where: short stacking energy: -313.605 Base-Backbone interact. energy: -1.178 local terms energy: -323.318368 where: bonds (distance) C4'-P energy: -55.389 bonds (distance) P-C4' energy: -61.634 flat angles C4'-P-C4' energy: -73.940 flat angles P-C4'-P energy: -42.186 tors. eta vs tors. theta energy: -90.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -976.830068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.830068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.830068 (E_RNA) where: Base-Base interactions energy: -671.474 where: short stacking energy: -281.549 Base-Backbone interact. energy: -1.321 local terms energy: -304.035220 where: bonds (distance) C4'-P energy: -57.742 bonds (distance) P-C4' energy: -64.663 flat angles C4'-P-C4' energy: -67.647 flat angles P-C4'-P energy: -36.926 tors. eta vs tors. theta energy: -77.057 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: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -858.361653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.361653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.361653 (E_RNA) where: Base-Base interactions energy: -569.960 where: short stacking energy: -262.815 Base-Backbone interact. energy: -0.987 local terms energy: -287.414877 where: bonds (distance) C4'-P energy: -66.335 bonds (distance) P-C4' energy: -57.285 flat angles C4'-P-C4' energy: -62.659 flat angles P-C4'-P energy: -39.396 tors. eta vs tors. theta energy: -61.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -739.874482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.874482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.874482 (E_RNA) where: Base-Base interactions energy: -466.662 where: short stacking energy: -229.864 Base-Backbone interact. energy: 1.331 local terms energy: -274.543233 where: bonds (distance) C4'-P energy: -62.988 bonds (distance) P-C4' energy: -65.245 flat angles C4'-P-C4' energy: -67.394 flat angles P-C4'-P energy: -29.071 tors. eta vs tors. theta energy: -49.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -514.212025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.212025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.212025 (E_RNA) where: Base-Base interactions energy: -271.218 where: short stacking energy: -167.908 Base-Backbone interact. energy: -0.520 local terms energy: -242.473693 where: bonds (distance) C4'-P energy: -65.146 bonds (distance) P-C4' energy: -54.919 flat angles C4'-P-C4' energy: -59.226 flat angles P-C4'-P energy: -35.674 tors. eta vs tors. theta energy: -27.509 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: 6 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -490.423462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.423462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.423462 (E_RNA) where: Base-Base interactions energy: -255.510 where: short stacking energy: -132.418 Base-Backbone interact. energy: -1.286 local terms energy: -233.627987 where: bonds (distance) C4'-P energy: -54.688 bonds (distance) P-C4' energy: -67.838 flat angles C4'-P-C4' energy: -55.230 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -16.580 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: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -377.313941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.313941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.313941 (E_RNA) where: Base-Base interactions energy: -161.621 where: short stacking energy: -128.567 Base-Backbone interact. energy: -1.443 local terms energy: -214.250285 where: bonds (distance) C4'-P energy: -56.817 bonds (distance) P-C4' energy: -67.611 flat angles C4'-P-C4' energy: -43.437 flat angles P-C4'-P energy: -32.425 tors. eta vs tors. theta energy: -13.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -296.072011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.072011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.072011 (E_RNA) where: Base-Base interactions energy: -117.156 where: short stacking energy: -81.102 Base-Backbone interact. energy: -0.170 local terms energy: -178.746758 where: bonds (distance) C4'-P energy: -54.933 bonds (distance) P-C4' energy: -53.650 flat angles C4'-P-C4' energy: -46.159 flat angles P-C4'-P energy: -33.408 tors. eta vs tors. theta energy: 9.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1164.230021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.230021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.230021 (E_RNA) where: Base-Base interactions energy: -796.566 where: short stacking energy: -371.336 Base-Backbone interact. energy: -1.222 local terms energy: -366.441162 where: bonds (distance) C4'-P energy: -60.741 bonds (distance) P-C4' energy: -68.412 flat angles C4'-P-C4' energy: -78.903 flat angles P-C4'-P energy: -48.781 tors. eta vs tors. theta energy: -109.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1034.056810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.056810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.056810 (E_RNA) where: Base-Base interactions energy: -695.930 where: short stacking energy: -322.137 Base-Backbone interact. energy: -1.614 local terms energy: -336.513305 where: bonds (distance) C4'-P energy: -55.700 bonds (distance) P-C4' energy: -72.809 flat angles C4'-P-C4' energy: -81.967 flat angles P-C4'-P energy: -47.804 tors. eta vs tors. theta energy: -78.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -969.997663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.997663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.997663 (E_RNA) where: Base-Base interactions energy: -639.564 where: short stacking energy: -277.628 Base-Backbone interact. energy: -0.851 local terms energy: -329.582371 where: bonds (distance) C4'-P energy: -70.708 bonds (distance) P-C4' energy: -65.082 flat angles C4'-P-C4' energy: -69.523 flat angles P-C4'-P energy: -40.322 tors. eta vs tors. theta energy: -83.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -984.179810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.179810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.179810 (E_RNA) where: Base-Base interactions energy: -653.046 where: short stacking energy: -279.609 Base-Backbone interact. energy: -1.288 local terms energy: -329.846536 where: bonds (distance) C4'-P energy: -53.360 bonds (distance) P-C4' energy: -71.834 flat angles C4'-P-C4' energy: -72.060 flat angles P-C4'-P energy: -51.460 tors. eta vs tors. theta energy: -81.132 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: 5, replica: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -859.177340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.177340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.177340 (E_RNA) where: Base-Base interactions energy: -555.590 where: short stacking energy: -249.004 Base-Backbone interact. energy: -0.860 local terms energy: -302.727316 where: bonds (distance) C4'-P energy: -57.880 bonds (distance) P-C4' energy: -62.342 flat angles C4'-P-C4' energy: -76.071 flat angles P-C4'-P energy: -39.865 tors. eta vs tors. theta energy: -66.569 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: 66 Temperature: 1.150000 Total energy: -706.848775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.848775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.848775 (E_RNA) where: Base-Base interactions energy: -448.935 where: short stacking energy: -214.811 Base-Backbone interact. energy: -0.885 local terms energy: -257.028599 where: bonds (distance) C4'-P energy: -50.345 bonds (distance) P-C4' energy: -66.068 flat angles C4'-P-C4' energy: -62.425 flat angles P-C4'-P energy: -41.493 tors. eta vs tors. theta energy: -36.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -509.020606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.020606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.020606 (E_RNA) where: Base-Base interactions energy: -255.896 where: short stacking energy: -150.391 Base-Backbone interact. energy: 0.617 local terms energy: -253.741711 where: bonds (distance) C4'-P energy: -60.686 bonds (distance) P-C4' energy: -73.751 flat angles C4'-P-C4' energy: -58.136 flat angles P-C4'-P energy: -35.590 tors. eta vs tors. theta energy: -25.578 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: 8, replica: 6 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -502.817548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.817548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.817548 (E_RNA) where: Base-Base interactions energy: -287.194 where: short stacking energy: -161.790 Base-Backbone interact. energy: 2.106 local terms energy: -217.728955 where: bonds (distance) C4'-P energy: -53.041 bonds (distance) P-C4' energy: -50.929 flat angles C4'-P-C4' energy: -59.023 flat angles P-C4'-P energy: -35.471 tors. eta vs tors. theta energy: -19.265 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: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -323.926542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.926542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.926542 (E_RNA) where: Base-Base interactions energy: -129.631 where: short stacking energy: -94.597 Base-Backbone interact. energy: -0.193 local terms energy: -194.102843 where: bonds (distance) C4'-P energy: -57.129 bonds (distance) P-C4' energy: -57.398 flat angles C4'-P-C4' energy: -44.740 flat angles P-C4'-P energy: -36.292 tors. eta vs tors. theta energy: 1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -345.129920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.129920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.129920 (E_RNA) where: Base-Base interactions energy: -158.234 where: short stacking energy: -89.784 Base-Backbone interact. energy: -1.522 local terms energy: -185.373218 where: bonds (distance) C4'-P energy: -44.057 bonds (distance) P-C4' energy: -63.133 flat angles C4'-P-C4' energy: -51.148 flat angles P-C4'-P energy: -24.409 tors. eta vs tors. theta energy: -2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1166.022653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.022653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.022653 (E_RNA) where: Base-Base interactions energy: -783.835 where: short stacking energy: -366.369 Base-Backbone interact. energy: 0.208 local terms energy: -382.395873 where: bonds (distance) C4'-P energy: -72.870 bonds (distance) P-C4' energy: -69.982 flat angles C4'-P-C4' energy: -73.826 flat angles P-C4'-P energy: -53.306 tors. eta vs tors. theta energy: -112.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1047.740192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.740192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.740192 (E_RNA) where: Base-Base interactions energy: -704.266 where: short stacking energy: -296.266 Base-Backbone interact. energy: -0.661 local terms energy: -342.813282 where: bonds (distance) C4'-P energy: -70.503 bonds (distance) P-C4' energy: -69.866 flat angles C4'-P-C4' energy: -77.574 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -80.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -979.621671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.621671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.621671 (E_RNA) where: Base-Base interactions energy: -649.454 where: short stacking energy: -304.589 Base-Backbone interact. energy: -1.125 local terms energy: -329.042598 where: bonds (distance) C4'-P energy: -64.920 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -71.519 flat angles P-C4'-P energy: -49.782 tors. eta vs tors. theta energy: -79.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -916.644978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.644978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.644978 (E_RNA) where: Base-Base interactions energy: -607.739 where: short stacking energy: -280.038 Base-Backbone interact. energy: -1.041 local terms energy: -307.865191 where: bonds (distance) C4'-P energy: -57.617 bonds (distance) P-C4' energy: -62.430 flat angles C4'-P-C4' energy: -75.352 flat angles P-C4'-P energy: -47.358 tors. eta vs tors. theta energy: -65.108 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: 5 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -924.671884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.671884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.671884 (E_RNA) where: Base-Base interactions energy: -610.949 where: short stacking energy: -288.227 Base-Backbone interact. energy: 0.637 local terms energy: -314.359169 where: bonds (distance) C4'-P energy: -65.758 bonds (distance) P-C4' energy: -68.399 flat angles C4'-P-C4' energy: -68.319 flat angles P-C4'-P energy: -40.640 tors. eta vs tors. theta energy: -71.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -723.375987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.375987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.375987 (E_RNA) where: Base-Base interactions energy: -447.697 where: short stacking energy: -201.984 Base-Backbone interact. energy: -0.065 local terms energy: -275.614690 where: bonds (distance) C4'-P energy: -48.524 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -74.600 flat angles P-C4'-P energy: -42.683 tors. eta vs tors. theta energy: -45.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -549.823338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.823338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.823338 (E_RNA) where: Base-Base interactions energy: -288.349 where: short stacking energy: -164.536 Base-Backbone interact. energy: 3.226 local terms energy: -264.700296 where: bonds (distance) C4'-P energy: -68.086 bonds (distance) P-C4' energy: -57.735 flat angles C4'-P-C4' energy: -65.216 flat angles P-C4'-P energy: -34.124 tors. eta vs tors. theta energy: -39.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -387.754615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.754615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.754615 (E_RNA) where: Base-Base interactions energy: -170.905 where: short stacking energy: -110.568 Base-Backbone interact. energy: 0.434 local terms energy: -217.284028 where: bonds (distance) C4'-P energy: -60.629 bonds (distance) P-C4' energy: -57.323 flat angles C4'-P-C4' energy: -64.000 flat angles P-C4'-P energy: -30.813 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: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -297.482673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.482673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.482673 (E_RNA) where: Base-Base interactions energy: -102.559 where: short stacking energy: -84.563 Base-Backbone interact. energy: -0.880 local terms energy: -194.043639 where: bonds (distance) C4'-P energy: -65.936 bonds (distance) P-C4' energy: -55.596 flat angles C4'-P-C4' energy: -38.632 flat angles P-C4'-P energy: -39.231 tors. eta vs tors. theta energy: 5.352 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: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -380.374238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.374238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.374238 (E_RNA) where: Base-Base interactions energy: -201.983 where: short stacking energy: -121.565 Base-Backbone interact. energy: 1.308 local terms energy: -179.699285 where: bonds (distance) C4'-P energy: -56.048 bonds (distance) P-C4' energy: -53.832 flat angles C4'-P-C4' energy: -38.901 flat angles P-C4'-P energy: -29.606 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: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1175.357386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.357386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.357386 (E_RNA) where: Base-Base interactions energy: -796.196 where: short stacking energy: -365.719 Base-Backbone interact. energy: -1.463 local terms energy: -377.699019 where: bonds (distance) C4'-P energy: -67.825 bonds (distance) P-C4' energy: -68.197 flat angles C4'-P-C4' energy: -79.105 flat angles P-C4'-P energy: -45.742 tors. eta vs tors. theta energy: -116.830 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: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1046.208603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.208603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.208603 (E_RNA) where: Base-Base interactions energy: -707.163 where: short stacking energy: -313.446 Base-Backbone interact. energy: -3.510 local terms energy: -335.536452 where: bonds (distance) C4'-P energy: -62.753 bonds (distance) P-C4' energy: -64.495 flat angles C4'-P-C4' energy: -78.304 flat angles P-C4'-P energy: -45.987 tors. eta vs tors. theta energy: -83.997 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: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -951.174756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.174756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.174756 (E_RNA) where: Base-Base interactions energy: -637.144 where: short stacking energy: -292.236 Base-Backbone interact. energy: 0.383 local terms energy: -314.413768 where: bonds (distance) C4'-P energy: -60.529 bonds (distance) P-C4' energy: -57.997 flat angles C4'-P-C4' energy: -81.012 flat angles P-C4'-P energy: -41.715 tors. eta vs tors. theta energy: -73.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -935.608123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.608123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.608123 (E_RNA) where: Base-Base interactions energy: -644.632 where: short stacking energy: -287.119 Base-Backbone interact. energy: -0.302 local terms energy: -290.673838 where: bonds (distance) C4'-P energy: -46.983 bonds (distance) P-C4' energy: -53.169 flat angles C4'-P-C4' energy: -69.131 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -78.760 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: 5 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -899.237018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.237018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.237018 (E_RNA) where: Base-Base interactions energy: -599.319 where: short stacking energy: -256.595 Base-Backbone interact. energy: 5.049 local terms energy: -304.966950 where: bonds (distance) C4'-P energy: -60.113 bonds (distance) P-C4' energy: -63.340 flat angles C4'-P-C4' energy: -68.342 flat angles P-C4'-P energy: -42.375 tors. eta vs tors. theta energy: -70.798 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: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -711.322234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.322234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.322234 (E_RNA) where: Base-Base interactions energy: -445.194 where: short stacking energy: -195.474 Base-Backbone interact. energy: 3.114 local terms energy: -269.242208 where: bonds (distance) C4'-P energy: -58.176 bonds (distance) P-C4' energy: -57.649 flat angles C4'-P-C4' energy: -74.090 flat angles P-C4'-P energy: -41.837 tors. eta vs tors. theta energy: -37.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -537.416963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.416963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.416963 (E_RNA) where: Base-Base interactions energy: -308.823 where: short stacking energy: -196.148 Base-Backbone interact. energy: -0.374 local terms energy: -228.219532 where: bonds (distance) C4'-P energy: -49.559 bonds (distance) P-C4' energy: -48.536 flat angles C4'-P-C4' energy: -58.202 flat angles P-C4'-P energy: -33.235 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: 8, replica: 6 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -406.184541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.184541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.184541 (E_RNA) where: Base-Base interactions energy: -185.235 where: short stacking energy: -134.534 Base-Backbone interact. energy: -1.409 local terms energy: -219.540723 where: bonds (distance) C4'-P energy: -53.626 bonds (distance) P-C4' energy: -67.216 flat angles C4'-P-C4' energy: -52.914 flat angles P-C4'-P energy: -37.990 tors. eta vs tors. theta energy: -7.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -395.930401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.930401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.930401 (E_RNA) where: Base-Base interactions energy: -203.998 where: short stacking energy: -113.045 Base-Backbone interact. energy: -1.788 local terms energy: -190.145144 where: bonds (distance) C4'-P energy: -52.301 bonds (distance) P-C4' energy: -60.651 flat angles C4'-P-C4' energy: -48.232 flat angles P-C4'-P energy: -27.754 tors. eta vs tors. theta energy: -1.207 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: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -281.250771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.250771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.250771 (E_RNA) where: Base-Base interactions energy: -86.326 where: short stacking energy: -75.901 Base-Backbone interact. energy: -0.358 local terms energy: -194.567256 where: bonds (distance) C4'-P energy: -47.076 bonds (distance) P-C4' energy: -58.242 flat angles C4'-P-C4' energy: -55.882 flat angles P-C4'-P energy: -36.082 tors. eta vs tors. theta energy: 2.715 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: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1182.659216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.659216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.659216 (E_RNA) where: Base-Base interactions energy: -797.112 where: short stacking energy: -370.323 Base-Backbone interact. energy: -0.981 local terms energy: -384.566216 where: bonds (distance) C4'-P energy: -66.176 bonds (distance) P-C4' energy: -69.182 flat angles C4'-P-C4' energy: -73.912 flat angles P-C4'-P energy: -54.209 tors. eta vs tors. theta energy: -121.087 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: 2, replica: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1041.723521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.723521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.723521 (E_RNA) where: Base-Base interactions energy: -707.649 where: short stacking energy: -303.872 Base-Backbone interact. energy: -0.564 local terms energy: -333.510504 where: bonds (distance) C4'-P energy: -68.297 bonds (distance) P-C4' energy: -69.117 flat angles C4'-P-C4' energy: -70.186 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: -82.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -984.503969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.503969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.503969 (E_RNA) where: Base-Base interactions energy: -658.683 where: short stacking energy: -284.802 Base-Backbone interact. energy: -0.806 local terms energy: -325.015492 where: bonds (distance) C4'-P energy: -77.032 bonds (distance) P-C4' energy: -64.792 flat angles C4'-P-C4' energy: -70.007 flat angles P-C4'-P energy: -51.154 tors. eta vs tors. theta energy: -62.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -982.818387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.818387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.818387 (E_RNA) where: Base-Base interactions energy: -667.525 where: short stacking energy: -292.424 Base-Backbone interact. energy: -1.136 local terms energy: -314.157232 where: bonds (distance) C4'-P energy: -52.787 bonds (distance) P-C4' energy: -54.719 flat angles C4'-P-C4' energy: -77.768 flat angles P-C4'-P energy: -47.254 tors. eta vs tors. theta energy: -81.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -941.142288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.142288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.142288 (E_RNA) where: Base-Base interactions energy: -615.228 where: short stacking energy: -292.036 Base-Backbone interact. energy: 0.046 local terms energy: -325.960060 where: bonds (distance) C4'-P energy: -61.178 bonds (distance) P-C4' energy: -68.419 flat angles C4'-P-C4' energy: -70.237 flat angles P-C4'-P energy: -43.947 tors. eta vs tors. theta energy: -82.180 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: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -756.182447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.182447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.182447 (E_RNA) where: Base-Base interactions energy: -464.547 where: short stacking energy: -237.581 Base-Backbone interact. energy: 2.375 local terms energy: -294.010470 where: bonds (distance) C4'-P energy: -72.903 bonds (distance) P-C4' energy: -49.684 flat angles C4'-P-C4' energy: -70.787 flat angles P-C4'-P energy: -45.542 tors. eta vs tors. theta energy: -55.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -542.672517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.672517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.672517 (E_RNA) where: Base-Base interactions energy: -317.784 where: short stacking energy: -163.554 Base-Backbone interact. energy: 6.978 local terms energy: -231.866769 where: bonds (distance) C4'-P energy: -60.151 bonds (distance) P-C4' energy: -62.375 flat angles C4'-P-C4' energy: -50.079 flat angles P-C4'-P energy: -39.238 tors. eta vs tors. theta energy: -20.024 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: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -446.293245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.293245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.293245 (E_RNA) where: Base-Base interactions energy: -212.636 where: short stacking energy: -126.305 Base-Backbone interact. energy: 0.364 local terms energy: -234.021835 where: bonds (distance) C4'-P energy: -58.152 bonds (distance) P-C4' energy: -62.986 flat angles C4'-P-C4' energy: -54.974 flat angles P-C4'-P energy: -39.326 tors. eta vs tors. theta energy: -18.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -389.349450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.349450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.349450 (E_RNA) where: Base-Base interactions energy: -175.909 where: short stacking energy: -116.236 Base-Backbone interact. energy: -1.874 local terms energy: -211.566953 where: bonds (distance) C4'-P energy: -62.252 bonds (distance) P-C4' energy: -73.468 flat angles C4'-P-C4' energy: -53.187 flat angles P-C4'-P energy: -15.841 tors. eta vs tors. theta energy: -6.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -286.372408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.372408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.372408 (E_RNA) where: Base-Base interactions energy: -93.270 where: short stacking energy: -82.083 Base-Backbone interact. energy: 0.405 local terms energy: -193.507256 where: bonds (distance) C4'-P energy: -55.337 bonds (distance) P-C4' energy: -61.998 flat angles C4'-P-C4' energy: -54.011 flat angles P-C4'-P energy: -36.812 tors. eta vs tors. theta energy: 14.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1179.436978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.436978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.436978 (E_RNA) where: Base-Base interactions energy: -793.367 where: short stacking energy: -387.842 Base-Backbone interact. energy: -0.598 local terms energy: -385.471494 where: bonds (distance) C4'-P energy: -69.070 bonds (distance) P-C4' energy: -69.364 flat angles C4'-P-C4' energy: -76.125 flat angles P-C4'-P energy: -56.970 tors. eta vs tors. theta energy: -113.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1052.156020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.156020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.156020 (E_RNA) where: Base-Base interactions energy: -713.328 where: short stacking energy: -313.274 Base-Backbone interact. energy: -1.846 local terms energy: -336.981923 where: bonds (distance) C4'-P energy: -66.348 bonds (distance) P-C4' energy: -73.682 flat angles C4'-P-C4' energy: -72.924 flat angles P-C4'-P energy: -52.804 tors. eta vs tors. theta energy: -71.224 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: 1 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1023.853318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.853318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.853318 (E_RNA) where: Base-Base interactions energy: -681.263 where: short stacking energy: -311.985 Base-Backbone interact. energy: -1.200 local terms energy: -341.389852 where: bonds (distance) C4'-P energy: -46.965 bonds (distance) P-C4' energy: -75.160 flat angles C4'-P-C4' energy: -73.948 flat angles P-C4'-P energy: -54.093 tors. eta vs tors. theta energy: -91.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -964.813182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.813182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.813182 (E_RNA) where: Base-Base interactions energy: -642.288 where: short stacking energy: -276.503 Base-Backbone interact. energy: -2.109 local terms energy: -320.416318 where: bonds (distance) C4'-P energy: -65.226 bonds (distance) P-C4' energy: -73.292 flat angles C4'-P-C4' energy: -65.647 flat angles P-C4'-P energy: -46.786 tors. eta vs tors. theta energy: -69.465 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: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -946.393858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.393858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.393858 (E_RNA) where: Base-Base interactions energy: -629.422 where: short stacking energy: -290.453 Base-Backbone interact. energy: 0.517 local terms energy: -317.489419 where: bonds (distance) C4'-P energy: -62.035 bonds (distance) P-C4' energy: -71.165 flat angles C4'-P-C4' energy: -57.698 flat angles P-C4'-P energy: -45.153 tors. eta vs tors. theta energy: -81.439 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: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -713.569984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.569984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.569984 (E_RNA) where: Base-Base interactions energy: -426.573 where: short stacking energy: -217.874 Base-Backbone interact. energy: -0.900 local terms energy: -286.097044 where: bonds (distance) C4'-P energy: -67.555 bonds (distance) P-C4' energy: -59.510 flat angles C4'-P-C4' energy: -58.089 flat angles P-C4'-P energy: -48.535 tors. eta vs tors. theta energy: -52.408 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: 70 Temperature: 1.200000 Total energy: -578.310720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.310720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.310720 (E_RNA) where: Base-Base interactions energy: -332.594 where: short stacking energy: -171.660 Base-Backbone interact. energy: 1.161 local terms energy: -246.877841 where: bonds (distance) C4'-P energy: -63.581 bonds (distance) P-C4' energy: -63.065 flat angles C4'-P-C4' energy: -56.122 flat angles P-C4'-P energy: -37.361 tors. eta vs tors. theta energy: -26.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -452.642885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.642885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.642885 (E_RNA) where: Base-Base interactions energy: -231.037 where: short stacking energy: -130.628 Base-Backbone interact. energy: -1.524 local terms energy: -220.081871 where: bonds (distance) C4'-P energy: -62.410 bonds (distance) P-C4' energy: -63.269 flat angles C4'-P-C4' energy: -53.314 flat angles P-C4'-P energy: -33.692 tors. eta vs tors. theta energy: -7.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -367.975946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.975946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.975946 (E_RNA) where: Base-Base interactions energy: -167.535 where: short stacking energy: -95.301 Base-Backbone interact. energy: 10.806 local terms energy: -211.247249 where: bonds (distance) C4'-P energy: -61.869 bonds (distance) P-C4' energy: -74.156 flat angles C4'-P-C4' energy: -52.046 flat angles P-C4'-P energy: -29.680 tors. eta vs tors. theta energy: 6.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -316.153021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.153021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.153021 (E_RNA) where: Base-Base interactions energy: -134.401 where: short stacking energy: -108.571 Base-Backbone interact. energy: -0.720 local terms energy: -181.032452 where: bonds (distance) C4'-P energy: -55.941 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -34.083 flat angles P-C4'-P energy: -37.694 tors. eta vs tors. theta energy: 4.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1175.287744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.287744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.287744 (E_RNA) where: Base-Base interactions energy: -808.890 where: short stacking energy: -374.967 Base-Backbone interact. energy: 0.008 local terms energy: -366.405775 where: bonds (distance) C4'-P energy: -65.793 bonds (distance) P-C4' energy: -63.634 flat angles C4'-P-C4' energy: -72.835 flat angles P-C4'-P energy: -56.121 tors. eta vs tors. theta energy: -108.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1084.601023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.601023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.601023 (E_RNA) where: Base-Base interactions energy: -722.738 where: short stacking energy: -334.470 Base-Backbone interact. energy: -1.412 local terms energy: -360.451070 where: bonds (distance) C4'-P energy: -63.647 bonds (distance) P-C4' energy: -72.880 flat angles C4'-P-C4' energy: -74.838 flat angles P-C4'-P energy: -56.170 tors. eta vs tors. theta energy: -92.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1007.418616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.418616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.418616 (E_RNA) where: Base-Base interactions energy: -683.100 where: short stacking energy: -306.919 Base-Backbone interact. energy: -1.374 local terms energy: -322.944671 where: bonds (distance) C4'-P energy: -66.494 bonds (distance) P-C4' energy: -62.833 flat angles C4'-P-C4' energy: -74.333 flat angles P-C4'-P energy: -40.769 tors. eta vs tors. theta energy: -78.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -946.018667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.018667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.018667 (E_RNA) where: Base-Base interactions energy: -647.799 where: short stacking energy: -291.261 Base-Backbone interact. energy: -1.364 local terms energy: -296.855302 where: bonds (distance) C4'-P energy: -52.526 bonds (distance) P-C4' energy: -56.898 flat angles C4'-P-C4' energy: -68.967 flat angles P-C4'-P energy: -44.895 tors. eta vs tors. theta energy: -73.569 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: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -888.453655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.453655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.453655 (E_RNA) where: Base-Base interactions energy: -591.060 where: short stacking energy: -272.982 Base-Backbone interact. energy: -0.085 local terms energy: -297.309494 where: bonds (distance) C4'-P energy: -62.928 bonds (distance) P-C4' energy: -60.264 flat angles C4'-P-C4' energy: -60.909 flat angles P-C4'-P energy: -36.543 tors. eta vs tors. theta energy: -76.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -709.530154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.530154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.530154 (E_RNA) where: Base-Base interactions energy: -452.267 where: short stacking energy: -231.234 Base-Backbone interact. energy: 1.570 local terms energy: -258.832791 where: bonds (distance) C4'-P energy: -58.453 bonds (distance) P-C4' energy: -62.737 flat angles C4'-P-C4' energy: -50.249 flat angles P-C4'-P energy: -37.280 tors. eta vs tors. theta energy: -50.115 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: 71 Temperature: 1.200000 Total energy: -557.619776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.619776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.619776 (E_RNA) where: Base-Base interactions energy: -312.456 where: short stacking energy: -158.722 Base-Backbone interact. energy: 0.320 local terms energy: -245.483214 where: bonds (distance) C4'-P energy: -58.481 bonds (distance) P-C4' energy: -65.371 flat angles C4'-P-C4' energy: -65.965 flat angles P-C4'-P energy: -26.789 tors. eta vs tors. theta energy: -28.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -459.679285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.679285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.679285 (E_RNA) where: Base-Base interactions energy: -269.272 where: short stacking energy: -136.625 Base-Backbone interact. energy: -0.412 local terms energy: -189.995030 where: bonds (distance) C4'-P energy: -63.380 bonds (distance) P-C4' energy: -62.126 flat angles C4'-P-C4' energy: -48.829 flat angles P-C4'-P energy: -17.487 tors. eta vs tors. theta energy: 1.826 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: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -402.094263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.094263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.094263 (E_RNA) where: Base-Base interactions energy: -196.030 where: short stacking energy: -98.329 Base-Backbone interact. energy: -0.533 local terms energy: -205.531537 where: bonds (distance) C4'-P energy: -54.011 bonds (distance) P-C4' energy: -64.157 flat angles C4'-P-C4' energy: -48.298 flat angles P-C4'-P energy: -47.003 tors. eta vs tors. theta energy: 7.937 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: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -284.477000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.477000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.477000 (E_RNA) where: Base-Base interactions energy: -108.737 where: short stacking energy: -86.563 Base-Backbone interact. energy: -0.584 local terms energy: -175.155962 where: bonds (distance) C4'-P energy: -52.073 bonds (distance) P-C4' energy: -58.798 flat angles C4'-P-C4' energy: -30.605 flat angles P-C4'-P energy: -29.095 tors. eta vs tors. theta energy: -4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1158.222699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.222699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.222699 (E_RNA) where: Base-Base interactions energy: -782.818 where: short stacking energy: -379.448 Base-Backbone interact. energy: -0.022 local terms energy: -375.383110 where: bonds (distance) C4'-P energy: -60.005 bonds (distance) P-C4' energy: -69.128 flat angles C4'-P-C4' energy: -75.830 flat angles P-C4'-P energy: -57.448 tors. eta vs tors. theta energy: -112.973 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: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1074.024234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.024234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.024234 (E_RNA) where: Base-Base interactions energy: -722.730 where: short stacking energy: -334.094 Base-Backbone interact. energy: -0.901 local terms energy: -350.392418 where: bonds (distance) C4'-P energy: -70.290 bonds (distance) P-C4' energy: -63.097 flat angles C4'-P-C4' energy: -75.804 flat angles P-C4'-P energy: -50.399 tors. eta vs tors. theta energy: -90.802 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: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -996.089025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.089025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.089025 (E_RNA) where: Base-Base interactions energy: -687.036 where: short stacking energy: -296.000 Base-Backbone interact. energy: -3.362 local terms energy: -305.691725 where: bonds (distance) C4'-P energy: -51.149 bonds (distance) P-C4' energy: -70.815 flat angles C4'-P-C4' energy: -75.557 flat angles P-C4'-P energy: -42.732 tors. eta vs tors. theta energy: -65.439 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: 72 Temperature: 1.050000 Total energy: -945.082075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.082075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.082075 (E_RNA) where: Base-Base interactions energy: -621.718 where: short stacking energy: -278.806 Base-Backbone interact. energy: 1.597 local terms energy: -324.961406 where: bonds (distance) C4'-P energy: -70.685 bonds (distance) P-C4' energy: -58.530 flat angles C4'-P-C4' energy: -68.208 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -75.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -900.536855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.536855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.536855 (E_RNA) where: Base-Base interactions energy: -586.763 where: short stacking energy: -289.507 Base-Backbone interact. energy: -1.371 local terms energy: -312.402049 where: bonds (distance) C4'-P energy: -51.671 bonds (distance) P-C4' energy: -67.267 flat angles C4'-P-C4' energy: -69.336 flat angles P-C4'-P energy: -40.665 tors. eta vs tors. theta energy: -83.464 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: 6, replica: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -714.116396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.116396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.116396 (E_RNA) where: Base-Base interactions energy: -449.613 where: short stacking energy: -212.412 Base-Backbone interact. energy: 1.539 local terms energy: -266.042186 where: bonds (distance) C4'-P energy: -58.680 bonds (distance) P-C4' energy: -57.965 flat angles C4'-P-C4' energy: -57.366 flat angles P-C4'-P energy: -39.091 tors. eta vs tors. theta energy: -52.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -517.817877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.817877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.817877 (E_RNA) where: Base-Base interactions energy: -277.313 where: short stacking energy: -150.464 Base-Backbone interact. energy: -2.143 local terms energy: -238.361754 where: bonds (distance) C4'-P energy: -53.609 bonds (distance) P-C4' energy: -72.846 flat angles C4'-P-C4' energy: -58.050 flat angles P-C4'-P energy: -40.567 tors. eta vs tors. theta energy: -13.290 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: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -542.590964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.590964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.590964 (E_RNA) where: Base-Base interactions energy: -307.199 where: short stacking energy: -173.216 Base-Backbone interact. energy: -1.884 local terms energy: -233.507566 where: bonds (distance) C4'-P energy: -56.205 bonds (distance) P-C4' energy: -65.069 flat angles C4'-P-C4' energy: -44.592 flat angles P-C4'-P energy: -34.612 tors. eta vs tors. theta energy: -33.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -468.748577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.748577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.748577 (E_RNA) where: Base-Base interactions energy: -249.951 where: short stacking energy: -119.738 Base-Backbone interact. energy: 0.831 local terms energy: -219.628889 where: bonds (distance) C4'-P energy: -57.048 bonds (distance) P-C4' energy: -61.690 flat angles C4'-P-C4' energy: -52.841 flat angles P-C4'-P energy: -40.404 tors. eta vs tors. theta energy: -7.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -282.916065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.916065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.916065 (E_RNA) where: Base-Base interactions energy: -95.291 where: short stacking energy: -76.745 Base-Backbone interact. energy: 1.424 local terms energy: -189.049795 where: bonds (distance) C4'-P energy: -59.189 bonds (distance) P-C4' energy: -62.999 flat angles C4'-P-C4' energy: -39.007 flat angles P-C4'-P energy: -32.876 tors. eta vs tors. theta energy: 5.022 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: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1165.704729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.704729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.704729 (E_RNA) where: Base-Base interactions energy: -777.986 where: short stacking energy: -364.050 Base-Backbone interact. energy: -1.124 local terms energy: -386.595263 where: bonds (distance) C4'-P energy: -64.536 bonds (distance) P-C4' energy: -75.724 flat angles C4'-P-C4' energy: -75.463 flat angles P-C4'-P energy: -54.282 tors. eta vs tors. theta energy: -116.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1046.123707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.123707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.123707 (E_RNA) where: Base-Base interactions energy: -685.522 where: short stacking energy: -332.307 Base-Backbone interact. energy: -0.230 local terms energy: -360.371951 where: bonds (distance) C4'-P energy: -67.528 bonds (distance) P-C4' energy: -68.916 flat angles C4'-P-C4' energy: -78.249 flat angles P-C4'-P energy: -47.781 tors. eta vs tors. theta energy: -97.899 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: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -960.253570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.253570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.253570 (E_RNA) where: Base-Base interactions energy: -642.562 where: short stacking energy: -279.450 Base-Backbone interact. energy: -0.883 local terms energy: -316.808663 where: bonds (distance) C4'-P energy: -67.648 bonds (distance) P-C4' energy: -66.041 flat angles C4'-P-C4' energy: -70.568 flat angles P-C4'-P energy: -46.265 tors. eta vs tors. theta energy: -66.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -915.341460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.341460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.341460 (E_RNA) where: Base-Base interactions energy: -624.850 where: short stacking energy: -275.670 Base-Backbone interact. energy: 3.847 local terms energy: -294.338514 where: bonds (distance) C4'-P energy: -67.871 bonds (distance) P-C4' energy: -62.942 flat angles C4'-P-C4' energy: -66.960 flat angles P-C4'-P energy: -30.298 tors. eta vs tors. theta energy: -66.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -856.980889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.980889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.980889 (E_RNA) where: Base-Base interactions energy: -546.803 where: short stacking energy: -265.557 Base-Backbone interact. energy: 2.010 local terms energy: -312.187368 where: bonds (distance) C4'-P energy: -63.511 bonds (distance) P-C4' energy: -56.537 flat angles C4'-P-C4' energy: -66.968 flat angles P-C4'-P energy: -50.019 tors. eta vs tors. theta energy: -75.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -723.080387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.080387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.080387 (E_RNA) where: Base-Base interactions energy: -473.844 where: short stacking energy: -221.105 Base-Backbone interact. energy: -0.741 local terms energy: -248.495537 where: bonds (distance) C4'-P energy: -61.889 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -57.094 flat angles P-C4'-P energy: -31.115 tors. eta vs tors. theta energy: -38.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -543.174006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.174006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.174006 (E_RNA) where: Base-Base interactions energy: -320.154 where: short stacking energy: -166.958 Base-Backbone interact. energy: 1.082 local terms energy: -224.102195 where: bonds (distance) C4'-P energy: -66.543 bonds (distance) P-C4' energy: -60.895 flat angles C4'-P-C4' energy: -46.944 flat angles P-C4'-P energy: -28.127 tors. eta vs tors. theta energy: -21.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -498.647227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.647227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.647227 (E_RNA) where: Base-Base interactions energy: -266.358 where: short stacking energy: -161.320 Base-Backbone interact. energy: -0.899 local terms energy: -231.390749 where: bonds (distance) C4'-P energy: -57.577 bonds (distance) P-C4' energy: -52.946 flat angles C4'-P-C4' energy: -57.140 flat angles P-C4'-P energy: -38.044 tors. eta vs tors. theta energy: -25.685 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: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -465.593036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.593036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.593036 (E_RNA) where: Base-Base interactions energy: -238.428 where: short stacking energy: -128.293 Base-Backbone interact. energy: -0.120 local terms energy: -227.045420 where: bonds (distance) C4'-P energy: -52.680 bonds (distance) P-C4' energy: -59.530 flat angles C4'-P-C4' energy: -59.162 flat angles P-C4'-P energy: -43.389 tors. eta vs tors. theta energy: -12.286 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: 73 Temperature: 1.350000 Total energy: -309.082195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.082195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.082195 (E_RNA) where: Base-Base interactions energy: -105.450 where: short stacking energy: -81.315 Base-Backbone interact. energy: -0.749 local terms energy: -202.883506 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -62.488 flat angles C4'-P-C4' energy: -57.227 flat angles P-C4'-P energy: -23.514 tors. eta vs tors. theta energy: 0.204 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: 74 Temperature: 0.900000 Total energy: -1185.861185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.861185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.861185 (E_RNA) where: Base-Base interactions energy: -807.527 where: short stacking energy: -373.934 Base-Backbone interact. energy: -2.358 local terms energy: -375.976338 where: bonds (distance) C4'-P energy: -65.008 bonds (distance) P-C4' energy: -63.868 flat angles C4'-P-C4' energy: -73.458 flat angles P-C4'-P energy: -57.640 tors. eta vs tors. theta energy: -116.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1050.824248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.824248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.824248 (E_RNA) where: Base-Base interactions energy: -681.045 where: short stacking energy: -323.002 Base-Backbone interact. energy: -0.353 local terms energy: -369.426210 where: bonds (distance) C4'-P energy: -72.052 bonds (distance) P-C4' energy: -70.092 flat angles C4'-P-C4' energy: -75.453 flat angles P-C4'-P energy: -53.363 tors. eta vs tors. theta energy: -98.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -951.899887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.899887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.899887 (E_RNA) where: Base-Base interactions energy: -629.458 where: short stacking energy: -285.545 Base-Backbone interact. energy: 0.855 local terms energy: -323.296175 where: bonds (distance) C4'-P energy: -60.360 bonds (distance) P-C4' energy: -68.918 flat angles C4'-P-C4' energy: -69.540 flat angles P-C4'-P energy: -52.261 tors. eta vs tors. theta energy: -72.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -913.933231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.933231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.933231 (E_RNA) where: Base-Base interactions energy: -621.391 where: short stacking energy: -261.154 Base-Backbone interact. energy: 0.347 local terms energy: -292.888779 where: bonds (distance) C4'-P energy: -62.518 bonds (distance) P-C4' energy: -64.049 flat angles C4'-P-C4' energy: -66.393 flat angles P-C4'-P energy: -38.231 tors. eta vs tors. theta energy: -61.697 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: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -887.907440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.907440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.907440 (E_RNA) where: Base-Base interactions energy: -584.952 where: short stacking energy: -307.321 Base-Backbone interact. energy: 0.170 local terms energy: -303.125284 where: bonds (distance) C4'-P energy: -57.230 bonds (distance) P-C4' energy: -66.372 flat angles C4'-P-C4' energy: -60.086 flat angles P-C4'-P energy: -36.402 tors. eta vs tors. theta energy: -83.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -735.884759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.884759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.884759 (E_RNA) where: Base-Base interactions energy: -473.331 where: short stacking energy: -235.744 Base-Backbone interact. energy: -1.648 local terms energy: -260.905277 where: bonds (distance) C4'-P energy: -64.774 bonds (distance) P-C4' energy: -47.935 flat angles C4'-P-C4' energy: -68.278 flat angles P-C4'-P energy: -29.985 tors. eta vs tors. theta energy: -49.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -527.824632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.824632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.824632 (E_RNA) where: Base-Base interactions energy: -290.840 where: short stacking energy: -170.433 Base-Backbone interact. energy: 1.373 local terms energy: -238.357835 where: bonds (distance) C4'-P energy: -56.707 bonds (distance) P-C4' energy: -71.976 flat angles C4'-P-C4' energy: -57.362 flat angles P-C4'-P energy: -32.740 tors. eta vs tors. theta energy: -19.572 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: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -475.636685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.636685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.636685 (E_RNA) where: Base-Base interactions energy: -246.842 where: short stacking energy: -122.387 Base-Backbone interact. energy: -1.901 local terms energy: -226.893821 where: bonds (distance) C4'-P energy: -63.020 bonds (distance) P-C4' energy: -66.819 flat angles C4'-P-C4' energy: -58.899 flat angles P-C4'-P energy: -33.143 tors. eta vs tors. theta energy: -5.012 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: 74 Temperature: 1.300000 Total energy: -456.124262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.124262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.124262 (E_RNA) where: Base-Base interactions energy: -251.704 where: short stacking energy: -147.015 Base-Backbone interact. energy: -0.407 local terms energy: -204.013233 where: bonds (distance) C4'-P energy: -46.168 bonds (distance) P-C4' energy: -58.266 flat angles C4'-P-C4' energy: -46.826 flat angles P-C4'-P energy: -36.472 tors. eta vs tors. theta energy: -16.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -295.061232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.061232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.061232 (E_RNA) where: Base-Base interactions energy: -93.255 where: short stacking energy: -85.837 Base-Backbone interact. energy: -1.726 local terms energy: -200.080286 where: bonds (distance) C4'-P energy: -55.793 bonds (distance) P-C4' energy: -54.272 flat angles C4'-P-C4' energy: -54.083 flat angles P-C4'-P energy: -39.312 tors. eta vs tors. theta energy: 3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1131.711321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.711321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.711321 (E_RNA) where: Base-Base interactions energy: -745.377 where: short stacking energy: -351.913 Base-Backbone interact. energy: -1.085 local terms energy: -385.249984 where: bonds (distance) C4'-P energy: -76.926 bonds (distance) P-C4' energy: -69.779 flat angles C4'-P-C4' energy: -80.052 flat angles P-C4'-P energy: -56.150 tors. eta vs tors. theta energy: -102.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1066.959873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.959873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.959873 (E_RNA) where: Base-Base interactions energy: -712.023 where: short stacking energy: -345.295 Base-Backbone interact. energy: 1.187 local terms energy: -356.123848 where: bonds (distance) C4'-P energy: -65.719 bonds (distance) P-C4' energy: -68.453 flat angles C4'-P-C4' energy: -68.481 flat angles P-C4'-P energy: -50.365 tors. eta vs tors. theta energy: -103.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -969.517539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.517539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.517539 (E_RNA) where: Base-Base interactions energy: -653.729 where: short stacking energy: -305.282 Base-Backbone interact. energy: -1.547 local terms energy: -314.240850 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -65.312 flat angles C4'-P-C4' energy: -68.827 flat angles P-C4'-P energy: -43.156 tors. eta vs tors. theta energy: -73.155 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: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -915.407933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.407933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.407933 (E_RNA) where: Base-Base interactions energy: -599.264 where: short stacking energy: -301.168 Base-Backbone interact. energy: 0.115 local terms energy: -316.258247 where: bonds (distance) C4'-P energy: -58.314 bonds (distance) P-C4' energy: -68.392 flat angles C4'-P-C4' energy: -71.289 flat angles P-C4'-P energy: -41.420 tors. eta vs tors. theta energy: -76.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -886.411918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.411918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.411918 (E_RNA) where: Base-Base interactions energy: -595.970 where: short stacking energy: -256.832 Base-Backbone interact. energy: -1.391 local terms energy: -289.051378 where: bonds (distance) C4'-P energy: -63.969 bonds (distance) P-C4' energy: -55.954 flat angles C4'-P-C4' energy: -68.349 flat angles P-C4'-P energy: -40.027 tors. eta vs tors. theta energy: -60.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -741.176417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.176417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.176417 (E_RNA) where: Base-Base interactions energy: -460.168 where: short stacking energy: -220.941 Base-Backbone interact. energy: -1.630 local terms energy: -279.378521 where: bonds (distance) C4'-P energy: -61.038 bonds (distance) P-C4' energy: -62.389 flat angles C4'-P-C4' energy: -65.691 flat angles P-C4'-P energy: -49.829 tors. eta vs tors. theta energy: -40.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -517.952899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.952899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.952899 (E_RNA) where: Base-Base interactions energy: -280.790 where: short stacking energy: -144.698 Base-Backbone interact. energy: -0.430 local terms energy: -236.733504 where: bonds (distance) C4'-P energy: -52.017 bonds (distance) P-C4' energy: -66.223 flat angles C4'-P-C4' energy: -58.265 flat angles P-C4'-P energy: -45.486 tors. eta vs tors. theta energy: -14.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -471.266677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.266677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.266677 (E_RNA) where: Base-Base interactions energy: -256.348 where: short stacking energy: -158.417 Base-Backbone interact. energy: 2.018 local terms energy: -216.937552 where: bonds (distance) C4'-P energy: -40.140 bonds (distance) P-C4' energy: -65.712 flat angles C4'-P-C4' energy: -59.015 flat angles P-C4'-P energy: -35.111 tors. eta vs tors. theta energy: -16.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -451.462319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.462319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.462319 (E_RNA) where: Base-Base interactions energy: -239.011 where: short stacking energy: -142.854 Base-Backbone interact. energy: 5.042 local terms energy: -217.493644 where: bonds (distance) C4'-P energy: -37.236 bonds (distance) P-C4' energy: -63.117 flat angles C4'-P-C4' energy: -53.257 flat angles P-C4'-P energy: -31.646 tors. eta vs tors. theta energy: -32.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -289.625386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.625386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.625386 (E_RNA) where: Base-Base interactions energy: -87.067 where: short stacking energy: -81.793 Base-Backbone interact. energy: 1.083 local terms energy: -203.641683 where: bonds (distance) C4'-P energy: -56.543 bonds (distance) P-C4' energy: -77.907 flat angles C4'-P-C4' energy: -48.322 flat angles P-C4'-P energy: -36.805 tors. eta vs tors. theta energy: 15.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1137.342207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.342207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.342207 (E_RNA) where: Base-Base interactions energy: -775.298 where: short stacking energy: -349.269 Base-Backbone interact. energy: 0.823 local terms energy: -362.867860 where: bonds (distance) C4'-P energy: -66.478 bonds (distance) P-C4' energy: -68.428 flat angles C4'-P-C4' energy: -74.663 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -97.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1070.785454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.785454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.785454 (E_RNA) where: Base-Base interactions energy: -718.840 where: short stacking energy: -339.455 Base-Backbone interact. energy: -2.306 local terms energy: -349.639191 where: bonds (distance) C4'-P energy: -58.535 bonds (distance) P-C4' energy: -67.722 flat angles C4'-P-C4' energy: -74.294 flat angles P-C4'-P energy: -46.949 tors. eta vs tors. theta energy: -102.139 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: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -933.646295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.646295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.646295 (E_RNA) where: Base-Base interactions energy: -612.069 where: short stacking energy: -296.147 Base-Backbone interact. energy: -1.125 local terms energy: -320.452547 where: bonds (distance) C4'-P energy: -55.321 bonds (distance) P-C4' energy: -74.322 flat angles C4'-P-C4' energy: -73.328 flat angles P-C4'-P energy: -34.402 tors. eta vs tors. theta energy: -83.080 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: 2 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -912.337564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.337564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.337564 (E_RNA) where: Base-Base interactions energy: -612.724 where: short stacking energy: -284.528 Base-Backbone interact. energy: -1.246 local terms energy: -298.367523 where: bonds (distance) C4'-P energy: -59.828 bonds (distance) P-C4' energy: -59.999 flat angles C4'-P-C4' energy: -60.819 flat angles P-C4'-P energy: -45.188 tors. eta vs tors. theta energy: -72.534 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: 5, replica: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -865.343229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.343229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.343229 (E_RNA) where: Base-Base interactions energy: -581.628 where: short stacking energy: -261.358 Base-Backbone interact. energy: -2.058 local terms energy: -281.656386 where: bonds (distance) C4'-P energy: -60.929 bonds (distance) P-C4' energy: -61.499 flat angles C4'-P-C4' energy: -61.306 flat angles P-C4'-P energy: -45.478 tors. eta vs tors. theta energy: -52.445 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: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -714.347047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.347047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.347047 (E_RNA) where: Base-Base interactions energy: -462.547 where: short stacking energy: -216.960 Base-Backbone interact. energy: 0.689 local terms energy: -252.489502 where: bonds (distance) C4'-P energy: -55.729 bonds (distance) P-C4' energy: -55.791 flat angles C4'-P-C4' energy: -58.204 flat angles P-C4'-P energy: -42.889 tors. eta vs tors. theta energy: -39.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -560.888035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.888035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.888035 (E_RNA) where: Base-Base interactions energy: -314.082 where: short stacking energy: -194.729 Base-Backbone interact. energy: -0.610 local terms energy: -246.195826 where: bonds (distance) C4'-P energy: -51.870 bonds (distance) P-C4' energy: -54.685 flat angles C4'-P-C4' energy: -66.673 flat angles P-C4'-P energy: -39.452 tors. eta vs tors. theta energy: -33.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -520.172199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.172199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.172199 (E_RNA) where: Base-Base interactions energy: -259.122 where: short stacking energy: -164.609 Base-Backbone interact. energy: -0.778 local terms energy: -260.272328 where: bonds (distance) C4'-P energy: -64.242 bonds (distance) P-C4' energy: -69.096 flat angles C4'-P-C4' energy: -56.539 flat angles P-C4'-P energy: -40.952 tors. eta vs tors. theta energy: -29.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -425.583741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.583741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.583741 (E_RNA) where: Base-Base interactions energy: -193.614 where: short stacking energy: -106.656 Base-Backbone interact. energy: 0.455 local terms energy: -232.424297 where: bonds (distance) C4'-P energy: -64.070 bonds (distance) P-C4' energy: -60.032 flat angles C4'-P-C4' energy: -55.253 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: -13.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -333.079835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.079835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.079835 (E_RNA) where: Base-Base interactions energy: -146.618 where: short stacking energy: -83.817 Base-Backbone interact. energy: 1.505 local terms energy: -187.967085 where: bonds (distance) C4'-P energy: -53.860 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -47.592 flat angles P-C4'-P energy: -29.403 tors. eta vs tors. theta energy: 5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1148.576004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.576004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.576004 (E_RNA) where: Base-Base interactions energy: -768.568 where: short stacking energy: -358.190 Base-Backbone interact. energy: -1.434 local terms energy: -378.574035 where: bonds (distance) C4'-P energy: -74.759 bonds (distance) P-C4' energy: -66.459 flat angles C4'-P-C4' energy: -75.267 flat angles P-C4'-P energy: -51.686 tors. eta vs tors. theta energy: -110.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1060.788010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.788010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.788010 (E_RNA) where: Base-Base interactions energy: -707.832 where: short stacking energy: -322.993 Base-Backbone interact. energy: -0.629 local terms energy: -352.326958 where: bonds (distance) C4'-P energy: -76.573 bonds (distance) P-C4' energy: -61.805 flat angles C4'-P-C4' energy: -72.490 flat angles P-C4'-P energy: -47.283 tors. eta vs tors. theta energy: -94.176 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: 5 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -935.537966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.537966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.537966 (E_RNA) where: Base-Base interactions energy: -605.361 where: short stacking energy: -287.110 Base-Backbone interact. energy: -1.768 local terms energy: -328.409208 where: bonds (distance) C4'-P energy: -65.147 bonds (distance) P-C4' energy: -72.196 flat angles C4'-P-C4' energy: -74.288 flat angles P-C4'-P energy: -50.313 tors. eta vs tors. theta energy: -66.465 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: 77 Temperature: 1.050000 Total energy: -884.932191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.932191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.932191 (E_RNA) where: Base-Base interactions energy: -564.324 where: short stacking energy: -243.580 Base-Backbone interact. energy: -0.810 local terms energy: -319.797992 where: bonds (distance) C4'-P energy: -71.643 bonds (distance) P-C4' energy: -60.987 flat angles C4'-P-C4' energy: -76.676 flat angles P-C4'-P energy: -46.476 tors. eta vs tors. theta energy: -64.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -920.994744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.994744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.994744 (E_RNA) where: Base-Base interactions energy: -611.161 where: short stacking energy: -272.954 Base-Backbone interact. energy: -1.319 local terms energy: -308.514799 where: bonds (distance) C4'-P energy: -68.046 bonds (distance) P-C4' energy: -61.499 flat angles C4'-P-C4' energy: -73.017 flat angles P-C4'-P energy: -37.202 tors. eta vs tors. theta energy: -68.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -688.732149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.732149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.732149 (E_RNA) where: Base-Base interactions energy: -417.088 where: short stacking energy: -210.242 Base-Backbone interact. energy: -0.992 local terms energy: -270.652646 where: bonds (distance) C4'-P energy: -58.567 bonds (distance) P-C4' energy: -64.470 flat angles C4'-P-C4' energy: -57.411 flat angles P-C4'-P energy: -43.160 tors. eta vs tors. theta energy: -47.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -517.716067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.716067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.716067 (E_RNA) where: Base-Base interactions energy: -293.561 where: short stacking energy: -135.350 Base-Backbone interact. energy: -1.596 local terms energy: -222.559086 where: bonds (distance) C4'-P energy: -57.665 bonds (distance) P-C4' energy: -60.936 flat angles C4'-P-C4' energy: -51.000 flat angles P-C4'-P energy: -38.988 tors. eta vs tors. theta energy: -13.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -448.330174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.330174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.330174 (E_RNA) where: Base-Base interactions energy: -228.906 where: short stacking energy: -138.168 Base-Backbone interact. energy: 0.014 local terms energy: -219.438016 where: bonds (distance) C4'-P energy: -66.509 bonds (distance) P-C4' energy: -67.330 flat angles C4'-P-C4' energy: -41.295 flat angles P-C4'-P energy: -37.320 tors. eta vs tors. theta energy: -6.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -412.286038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.286038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.286038 (E_RNA) where: Base-Base interactions energy: -213.566 where: short stacking energy: -115.934 Base-Backbone interact. energy: -0.805 local terms energy: -197.915434 where: bonds (distance) C4'-P energy: -60.037 bonds (distance) P-C4' energy: -53.538 flat angles C4'-P-C4' energy: -33.106 flat angles P-C4'-P energy: -37.395 tors. eta vs tors. theta energy: -13.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -345.765051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.765051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.765051 (E_RNA) where: Base-Base interactions energy: -137.491 where: short stacking energy: -93.025 Base-Backbone interact. energy: 1.043 local terms energy: -209.317367 where: bonds (distance) C4'-P energy: -62.134 bonds (distance) P-C4' energy: -58.696 flat angles C4'-P-C4' energy: -50.024 flat angles P-C4'-P energy: -35.126 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1173.118160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.118160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.118160 (E_RNA) where: Base-Base interactions energy: -792.205 where: short stacking energy: -346.212 Base-Backbone interact. energy: -1.154 local terms energy: -379.759026 where: bonds (distance) C4'-P energy: -69.108 bonds (distance) P-C4' energy: -77.174 flat angles C4'-P-C4' energy: -77.409 flat angles P-C4'-P energy: -49.232 tors. eta vs tors. theta energy: -106.836 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: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1050.088553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.088553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.088553 (E_RNA) where: Base-Base interactions energy: -704.535 where: short stacking energy: -318.132 Base-Backbone interact. energy: -1.494 local terms energy: -344.059148 where: bonds (distance) C4'-P energy: -64.497 bonds (distance) P-C4' energy: -75.046 flat angles C4'-P-C4' energy: -68.214 flat angles P-C4'-P energy: -44.035 tors. eta vs tors. theta energy: -92.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -952.719932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.719932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.719932 (E_RNA) where: Base-Base interactions energy: -601.557 where: short stacking energy: -295.671 Base-Backbone interact. energy: -1.220 local terms energy: -349.943011 where: bonds (distance) C4'-P energy: -71.254 bonds (distance) P-C4' energy: -76.400 flat angles C4'-P-C4' energy: -76.341 flat angles P-C4'-P energy: -45.406 tors. eta vs tors. theta energy: -80.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -921.780748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.780748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.780748 (E_RNA) where: Base-Base interactions energy: -621.195 where: short stacking energy: -302.846 Base-Backbone interact. energy: -1.161 local terms energy: -299.424197 where: bonds (distance) C4'-P energy: -65.152 bonds (distance) P-C4' energy: -53.043 flat angles C4'-P-C4' energy: -66.929 flat angles P-C4'-P energy: -33.284 tors. eta vs tors. theta energy: -81.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -877.713165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.713165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.713165 (E_RNA) where: Base-Base interactions energy: -587.454 where: short stacking energy: -262.943 Base-Backbone interact. energy: -1.758 local terms energy: -288.501458 where: bonds (distance) C4'-P energy: -70.665 bonds (distance) P-C4' energy: -53.176 flat angles C4'-P-C4' energy: -70.280 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: -56.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -750.882712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.882712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.882712 (E_RNA) where: Base-Base interactions energy: -464.131 where: short stacking energy: -218.834 Base-Backbone interact. energy: 0.728 local terms energy: -287.478976 where: bonds (distance) C4'-P energy: -69.259 bonds (distance) P-C4' energy: -59.848 flat angles C4'-P-C4' energy: -58.435 flat angles P-C4'-P energy: -39.302 tors. eta vs tors. theta energy: -60.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -573.303503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.303503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.303503 (E_RNA) where: Base-Base interactions energy: -338.152 where: short stacking energy: -179.179 Base-Backbone interact. energy: -1.638 local terms energy: -233.513431 where: bonds (distance) C4'-P energy: -54.800 bonds (distance) P-C4' energy: -65.031 flat angles C4'-P-C4' energy: -62.968 flat angles P-C4'-P energy: -32.569 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: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -492.805788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.805788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.805788 (E_RNA) where: Base-Base interactions energy: -251.029 where: short stacking energy: -159.677 Base-Backbone interact. energy: 5.319 local terms energy: -247.096546 where: bonds (distance) C4'-P energy: -72.111 bonds (distance) P-C4' energy: -59.765 flat angles C4'-P-C4' energy: -56.571 flat angles P-C4'-P energy: -34.967 tors. eta vs tors. theta energy: -23.683 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: 9, replica: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -404.147799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.147799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.147799 (E_RNA) where: Base-Base interactions energy: -202.984 where: short stacking energy: -110.592 Base-Backbone interact. energy: -0.917 local terms energy: -200.246568 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -54.793 flat angles C4'-P-C4' energy: -53.183 flat angles P-C4'-P energy: -28.534 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -330.231186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.231186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.231186 (E_RNA) where: Base-Base interactions energy: -125.423 where: short stacking energy: -65.565 Base-Backbone interact. energy: -1.243 local terms energy: -203.565708 where: bonds (distance) C4'-P energy: -58.300 bonds (distance) P-C4' energy: -67.571 flat angles C4'-P-C4' energy: -57.391 flat angles P-C4'-P energy: -37.684 tors. eta vs tors. theta energy: 17.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1168.728420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.728420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.728420 (E_RNA) where: Base-Base interactions energy: -782.920 where: short stacking energy: -355.007 Base-Backbone interact. energy: -1.983 local terms energy: -383.825473 where: bonds (distance) C4'-P energy: -68.365 bonds (distance) P-C4' energy: -70.459 flat angles C4'-P-C4' energy: -79.562 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: -111.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1060.505259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.505259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.505259 (E_RNA) where: Base-Base interactions energy: -703.296 where: short stacking energy: -312.988 Base-Backbone interact. energy: -0.001 local terms energy: -357.208154 where: bonds (distance) C4'-P energy: -70.695 bonds (distance) P-C4' energy: -72.166 flat angles C4'-P-C4' energy: -69.846 flat angles P-C4'-P energy: -55.728 tors. eta vs tors. theta energy: -88.774 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: 5 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -960.920551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.920551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.920551 (E_RNA) where: Base-Base interactions energy: -657.213 where: short stacking energy: -307.746 Base-Backbone interact. energy: 1.837 local terms energy: -305.543804 where: bonds (distance) C4'-P energy: -61.012 bonds (distance) P-C4' energy: -61.186 flat angles C4'-P-C4' energy: -70.687 flat angles P-C4'-P energy: -42.089 tors. eta vs tors. theta energy: -70.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -951.305337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.305337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.305337 (E_RNA) where: Base-Base interactions energy: -635.978 where: short stacking energy: -296.007 Base-Backbone interact. energy: 1.366 local terms energy: -316.693335 where: bonds (distance) C4'-P energy: -64.054 bonds (distance) P-C4' energy: -58.424 flat angles C4'-P-C4' energy: -70.159 flat angles P-C4'-P energy: -46.268 tors. eta vs tors. theta energy: -77.788 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: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -835.273512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.273512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.273512 (E_RNA) where: Base-Base interactions energy: -549.269 where: short stacking energy: -258.877 Base-Backbone interact. energy: -1.478 local terms energy: -284.526472 where: bonds (distance) C4'-P energy: -51.294 bonds (distance) P-C4' energy: -68.363 flat angles C4'-P-C4' energy: -63.429 flat angles P-C4'-P energy: -40.593 tors. eta vs tors. theta energy: -60.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -777.879999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.879999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.879999 (E_RNA) where: Base-Base interactions energy: -489.579 where: short stacking energy: -245.027 Base-Backbone interact. energy: -0.602 local terms energy: -287.699339 where: bonds (distance) C4'-P energy: -61.364 bonds (distance) P-C4' energy: -58.377 flat angles C4'-P-C4' energy: -61.587 flat angles P-C4'-P energy: -43.148 tors. eta vs tors. theta energy: -63.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -562.486352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.486352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.486352 (E_RNA) where: Base-Base interactions energy: -312.722 where: short stacking energy: -150.265 Base-Backbone interact. energy: -1.616 local terms energy: -248.148337 where: bonds (distance) C4'-P energy: -60.740 bonds (distance) P-C4' energy: -67.894 flat angles C4'-P-C4' energy: -70.922 flat angles P-C4'-P energy: -37.772 tors. eta vs tors. theta energy: -10.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -481.912785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.912785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.912785 (E_RNA) where: Base-Base interactions energy: -261.400 where: short stacking energy: -145.644 Base-Backbone interact. energy: -2.396 local terms energy: -218.116593 where: bonds (distance) C4'-P energy: -55.790 bonds (distance) P-C4' energy: -54.311 flat angles C4'-P-C4' energy: -53.319 flat angles P-C4'-P energy: -41.571 tors. eta vs tors. theta energy: -13.125 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: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -408.459173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.459173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.459173 (E_RNA) where: Base-Base interactions energy: -217.635 where: short stacking energy: -113.100 Base-Backbone interact. energy: 0.465 local terms energy: -191.288646 where: bonds (distance) C4'-P energy: -49.762 bonds (distance) P-C4' energy: -62.502 flat angles C4'-P-C4' energy: -42.483 flat angles P-C4'-P energy: -33.294 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -342.658985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.658985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.658985 (E_RNA) where: Base-Base interactions energy: -126.919 where: short stacking energy: -93.273 Base-Backbone interact. energy: 0.649 local terms energy: -216.388996 where: bonds (distance) C4'-P energy: -56.597 bonds (distance) P-C4' energy: -65.080 flat angles C4'-P-C4' energy: -62.155 flat angles P-C4'-P energy: -26.953 tors. eta vs tors. theta energy: -5.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1183.910444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.910444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.910444 (E_RNA) where: Base-Base interactions energy: -818.733 where: short stacking energy: -375.475 Base-Backbone interact. energy: -2.245 local terms energy: -362.932533 where: bonds (distance) C4'-P energy: -68.473 bonds (distance) P-C4' energy: -66.652 flat angles C4'-P-C4' energy: -73.192 flat angles P-C4'-P energy: -46.308 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: 2, replica: 1 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1074.541680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.541680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.541680 (E_RNA) where: Base-Base interactions energy: -725.260 where: short stacking energy: -337.053 Base-Backbone interact. energy: -0.440 local terms energy: -348.841674 where: bonds (distance) C4'-P energy: -62.887 bonds (distance) P-C4' energy: -81.448 flat angles C4'-P-C4' energy: -69.957 flat angles P-C4'-P energy: -43.867 tors. eta vs tors. theta energy: -90.683 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: 5 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -964.662101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.662101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.662101 (E_RNA) where: Base-Base interactions energy: -640.202 where: short stacking energy: -301.767 Base-Backbone interact. energy: 1.234 local terms energy: -325.694176 where: bonds (distance) C4'-P energy: -55.053 bonds (distance) P-C4' energy: -66.130 flat angles C4'-P-C4' energy: -77.814 flat angles P-C4'-P energy: -49.055 tors. eta vs tors. theta energy: -77.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -923.347934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.347934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.347934 (E_RNA) where: Base-Base interactions energy: -614.314 where: short stacking energy: -273.830 Base-Backbone interact. energy: 0.455 local terms energy: -309.489429 where: bonds (distance) C4'-P energy: -67.162 bonds (distance) P-C4' energy: -64.790 flat angles C4'-P-C4' energy: -67.477 flat angles P-C4'-P energy: -40.369 tors. eta vs tors. theta energy: -69.691 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: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -780.151277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.151277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.151277 (E_RNA) where: Base-Base interactions energy: -501.512 where: short stacking energy: -249.638 Base-Backbone interact. energy: -0.996 local terms energy: -277.643416 where: bonds (distance) C4'-P energy: -61.330 bonds (distance) P-C4' energy: -63.994 flat angles C4'-P-C4' energy: -65.182 flat angles P-C4'-P energy: -37.871 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: 6, replica: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -806.968259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.968259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.968259 (E_RNA) where: Base-Base interactions energy: -511.018 where: short stacking energy: -251.914 Base-Backbone interact. energy: 0.878 local terms energy: -296.828113 where: bonds (distance) C4'-P energy: -56.561 bonds (distance) P-C4' energy: -56.283 flat angles C4'-P-C4' energy: -70.569 flat angles P-C4'-P energy: -49.351 tors. eta vs tors. theta energy: -64.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -546.526258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.526258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.526258 (E_RNA) where: Base-Base interactions energy: -295.281 where: short stacking energy: -199.405 Base-Backbone interact. energy: -1.705 local terms energy: -249.540002 where: bonds (distance) C4'-P energy: -37.371 bonds (distance) P-C4' energy: -56.932 flat angles C4'-P-C4' energy: -70.570 flat angles P-C4'-P energy: -50.915 tors. eta vs tors. theta energy: -33.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -557.310007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.310007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.310007 (E_RNA) where: Base-Base interactions energy: -312.335 where: short stacking energy: -163.075 Base-Backbone interact. energy: -2.730 local terms energy: -242.245484 where: bonds (distance) C4'-P energy: -59.690 bonds (distance) P-C4' energy: -60.457 flat angles C4'-P-C4' energy: -63.229 flat angles P-C4'-P energy: -33.021 tors. eta vs tors. theta energy: -25.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -385.549295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.549295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.549295 (E_RNA) where: Base-Base interactions energy: -190.503 where: short stacking energy: -134.169 Base-Backbone interact. energy: 0.607 local terms energy: -195.652802 where: bonds (distance) C4'-P energy: -47.313 bonds (distance) P-C4' energy: -58.361 flat angles C4'-P-C4' energy: -43.770 flat angles P-C4'-P energy: -35.766 tors. eta vs tors. theta energy: -10.442 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: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -355.729219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.729219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.729219 (E_RNA) where: Base-Base interactions energy: -157.824 where: short stacking energy: -105.598 Base-Backbone interact. energy: 1.007 local terms energy: -198.911679 where: bonds (distance) C4'-P energy: -70.400 bonds (distance) P-C4' energy: -43.126 flat angles C4'-P-C4' energy: -54.048 flat angles P-C4'-P energy: -23.897 tors. eta vs tors. theta energy: -7.440 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: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1144.694479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.694479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.694479 (E_RNA) where: Base-Base interactions energy: -767.573 where: short stacking energy: -368.927 Base-Backbone interact. energy: 0.378 local terms energy: -377.499310 where: bonds (distance) C4'-P energy: -71.400 bonds (distance) P-C4' energy: -62.530 flat angles C4'-P-C4' energy: -80.366 flat angles P-C4'-P energy: -50.975 tors. eta vs tors. theta energy: -112.229 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: 2, replica: 1 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1073.659874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.659874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.659874 (E_RNA) where: Base-Base interactions energy: -722.543 where: short stacking energy: -335.743 Base-Backbone interact. energy: -1.275 local terms energy: -349.841054 where: bonds (distance) C4'-P energy: -70.352 bonds (distance) P-C4' energy: -65.911 flat angles C4'-P-C4' energy: -78.678 flat angles P-C4'-P energy: -41.462 tors. eta vs tors. theta energy: -93.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1018.474840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.474840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.474840 (E_RNA) where: Base-Base interactions energy: -671.011 where: short stacking energy: -294.303 Base-Backbone interact. energy: -0.590 local terms energy: -346.874252 where: bonds (distance) C4'-P energy: -68.876 bonds (distance) P-C4' energy: -76.833 flat angles C4'-P-C4' energy: -72.680 flat angles P-C4'-P energy: -36.954 tors. eta vs tors. theta energy: -91.531 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: 8 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -917.550090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.550090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.550090 (E_RNA) where: Base-Base interactions energy: -607.415 where: short stacking energy: -268.182 Base-Backbone interact. energy: 0.017 local terms energy: -310.152322 where: bonds (distance) C4'-P energy: -62.576 bonds (distance) P-C4' energy: -61.445 flat angles C4'-P-C4' energy: -67.310 flat angles P-C4'-P energy: -44.650 tors. eta vs tors. theta energy: -74.171 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: 81 Temperature: 1.100000 Total energy: -789.530887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.530887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.530887 (E_RNA) where: Base-Base interactions energy: -503.245 where: short stacking energy: -231.753 Base-Backbone interact. energy: -2.626 local terms energy: -283.659681 where: bonds (distance) C4'-P energy: -65.049 bonds (distance) P-C4' energy: -66.087 flat angles C4'-P-C4' energy: -54.777 flat angles P-C4'-P energy: -41.656 tors. eta vs tors. theta energy: -56.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -764.251976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.251976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.251976 (E_RNA) where: Base-Base interactions energy: -471.442 where: short stacking energy: -229.184 Base-Backbone interact. energy: -1.224 local terms energy: -291.585832 where: bonds (distance) C4'-P energy: -60.555 bonds (distance) P-C4' energy: -66.231 flat angles C4'-P-C4' energy: -65.577 flat angles P-C4'-P energy: -47.246 tors. eta vs tors. theta energy: -51.978 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: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -501.082823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.082823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.082823 (E_RNA) where: Base-Base interactions energy: -258.122 where: short stacking energy: -166.185 Base-Backbone interact. energy: -1.390 local terms energy: -241.570782 where: bonds (distance) C4'-P energy: -58.957 bonds (distance) P-C4' energy: -64.755 flat angles C4'-P-C4' energy: -55.899 flat angles P-C4'-P energy: -30.376 tors. eta vs tors. theta energy: -31.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -518.651207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.651207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.651207 (E_RNA) where: Base-Base interactions energy: -309.701 where: short stacking energy: -165.431 Base-Backbone interact. energy: -1.708 local terms energy: -207.241867 where: bonds (distance) C4'-P energy: -53.694 bonds (distance) P-C4' energy: -50.992 flat angles C4'-P-C4' energy: -51.188 flat angles P-C4'-P energy: -40.544 tors. eta vs tors. theta energy: -10.824 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: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -443.774487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.774487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.774487 (E_RNA) where: Base-Base interactions energy: -205.013 where: short stacking energy: -155.328 Base-Backbone interact. energy: 3.165 local terms energy: -241.926116 where: bonds (distance) C4'-P energy: -57.587 bonds (distance) P-C4' energy: -56.354 flat angles C4'-P-C4' energy: -61.932 flat angles P-C4'-P energy: -36.529 tors. eta vs tors. theta energy: -29.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -330.963120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.963120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.963120 (E_RNA) where: Base-Base interactions energy: -156.097 where: short stacking energy: -111.805 Base-Backbone interact. energy: -1.617 local terms energy: -173.249039 where: bonds (distance) C4'-P energy: -48.605 bonds (distance) P-C4' energy: -58.495 flat angles C4'-P-C4' energy: -51.115 flat angles P-C4'-P energy: -16.015 tors. eta vs tors. theta energy: 0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1191.164677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.164677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.164677 (E_RNA) where: Base-Base interactions energy: -805.182 where: short stacking energy: -378.280 Base-Backbone interact. energy: 0.003 local terms energy: -385.984947 where: bonds (distance) C4'-P energy: -62.642 bonds (distance) P-C4' energy: -76.712 flat angles C4'-P-C4' energy: -75.505 flat angles P-C4'-P energy: -56.315 tors. eta vs tors. theta energy: -114.810 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: 1 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1050.359101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.359101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.359101 (E_RNA) where: Base-Base interactions energy: -696.395 where: short stacking energy: -327.098 Base-Backbone interact. energy: 0.316 local terms energy: -354.280440 where: bonds (distance) C4'-P energy: -65.430 bonds (distance) P-C4' energy: -65.543 flat angles C4'-P-C4' energy: -80.366 flat angles P-C4'-P energy: -52.694 tors. eta vs tors. theta energy: -90.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1002.177881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.177881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.177881 (E_RNA) where: Base-Base interactions energy: -665.217 where: short stacking energy: -306.764 Base-Backbone interact. energy: -1.934 local terms energy: -335.026218 where: bonds (distance) C4'-P energy: -71.710 bonds (distance) P-C4' energy: -66.890 flat angles C4'-P-C4' energy: -63.590 flat angles P-C4'-P energy: -42.270 tors. eta vs tors. theta energy: -90.567 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: 4, replica: 8 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -926.793612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.793612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.793612 (E_RNA) where: Base-Base interactions energy: -609.167 where: short stacking energy: -300.615 Base-Backbone interact. energy: -3.303 local terms energy: -314.323566 where: bonds (distance) C4'-P energy: -62.459 bonds (distance) P-C4' energy: -66.190 flat angles C4'-P-C4' energy: -68.612 flat angles P-C4'-P energy: -45.451 tors. eta vs tors. theta energy: -71.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -781.383902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.383902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.383902 (E_RNA) where: Base-Base interactions energy: -484.997 where: short stacking energy: -222.387 Base-Backbone interact. energy: -2.557 local terms energy: -293.829857 where: bonds (distance) C4'-P energy: -63.876 bonds (distance) P-C4' energy: -70.673 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -35.420 tors. eta vs tors. theta energy: -56.312 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: 2 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -804.752403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.752403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.752403 (E_RNA) where: Base-Base interactions energy: -515.449 where: short stacking energy: -226.276 Base-Backbone interact. energy: -0.255 local terms energy: -289.048359 where: bonds (distance) C4'-P energy: -58.402 bonds (distance) P-C4' energy: -70.315 flat angles C4'-P-C4' energy: -63.985 flat angles P-C4'-P energy: -35.111 tors. eta vs tors. theta energy: -61.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -574.408480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.408480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.408480 (E_RNA) where: Base-Base interactions energy: -350.106 where: short stacking energy: -185.402 Base-Backbone interact. energy: -1.747 local terms energy: -222.555031 where: bonds (distance) C4'-P energy: -49.775 bonds (distance) P-C4' energy: -61.226 flat angles C4'-P-C4' energy: -53.056 flat angles P-C4'-P energy: -27.600 tors. eta vs tors. theta energy: -30.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -501.354017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.354017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.354017 (E_RNA) where: Base-Base interactions energy: -271.074 where: short stacking energy: -167.251 Base-Backbone interact. energy: -1.043 local terms energy: -229.237457 where: bonds (distance) C4'-P energy: -53.447 bonds (distance) P-C4' energy: -65.254 flat angles C4'-P-C4' energy: -44.995 flat angles P-C4'-P energy: -38.224 tors. eta vs tors. theta energy: -27.318 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: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -383.006319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.006319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.006319 (E_RNA) where: Base-Base interactions energy: -168.426 where: short stacking energy: -91.797 Base-Backbone interact. energy: 2.323 local terms energy: -216.903634 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -69.169 flat angles C4'-P-C4' energy: -62.722 flat angles P-C4'-P energy: -30.955 tors. eta vs tors. theta energy: 6.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -277.981246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.981246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.981246 (E_RNA) where: Base-Base interactions energy: -88.606 where: short stacking energy: -75.410 Base-Backbone interact. energy: -0.822 local terms energy: -188.552792 where: bonds (distance) C4'-P energy: -50.936 bonds (distance) P-C4' energy: -61.085 flat angles C4'-P-C4' energy: -51.819 flat angles P-C4'-P energy: -33.301 tors. eta vs tors. theta energy: 8.588 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: 83 Temperature: 0.900000 Total energy: -1178.319198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.319198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.319198 (E_RNA) where: Base-Base interactions energy: -800.272 where: short stacking energy: -376.106 Base-Backbone interact. energy: 1.427 local terms energy: -379.475036 where: bonds (distance) C4'-P energy: -57.829 bonds (distance) P-C4' energy: -74.675 flat angles C4'-P-C4' energy: -78.085 flat angles P-C4'-P energy: -56.386 tors. eta vs tors. theta energy: -112.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1048.075290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.075290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.075290 (E_RNA) where: Base-Base interactions energy: -704.287 where: short stacking energy: -345.320 Base-Backbone interact. energy: -1.040 local terms energy: -342.748539 where: bonds (distance) C4'-P energy: -61.609 bonds (distance) P-C4' energy: -62.414 flat angles C4'-P-C4' energy: -76.680 flat angles P-C4'-P energy: -48.327 tors. eta vs tors. theta energy: -93.718 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: 3, replica: 5 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1022.135002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.135002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.135002 (E_RNA) where: Base-Base interactions energy: -674.305 where: short stacking energy: -321.601 Base-Backbone interact. energy: -1.187 local terms energy: -346.642145 where: bonds (distance) C4'-P energy: -73.355 bonds (distance) P-C4' energy: -62.054 flat angles C4'-P-C4' energy: -74.454 flat angles P-C4'-P energy: -50.001 tors. eta vs tors. theta energy: -86.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -955.268637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.268637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.268637 (E_RNA) where: Base-Base interactions energy: -616.016 where: short stacking energy: -293.401 Base-Backbone interact. energy: -1.643 local terms energy: -337.609660 where: bonds (distance) C4'-P energy: -54.828 bonds (distance) P-C4' energy: -71.556 flat angles C4'-P-C4' energy: -81.652 flat angles P-C4'-P energy: -51.208 tors. eta vs tors. theta energy: -78.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -807.938334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.938334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.938334 (E_RNA) where: Base-Base interactions energy: -509.230 where: short stacking energy: -238.128 Base-Backbone interact. energy: -2.533 local terms energy: -296.175235 where: bonds (distance) C4'-P energy: -70.362 bonds (distance) P-C4' energy: -68.553 flat angles C4'-P-C4' energy: -64.122 flat angles P-C4'-P energy: -45.526 tors. eta vs tors. theta energy: -47.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -800.381662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.381662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.381662 (E_RNA) where: Base-Base interactions energy: -515.206 where: short stacking energy: -245.399 Base-Backbone interact. energy: -1.182 local terms energy: -283.993774 where: bonds (distance) C4'-P energy: -53.232 bonds (distance) P-C4' energy: -65.318 flat angles C4'-P-C4' energy: -68.684 flat angles P-C4'-P energy: -34.628 tors. eta vs tors. theta energy: -62.132 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: 83 Temperature: 1.200000 Total energy: -609.580070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.580070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.580070 (E_RNA) where: Base-Base interactions energy: -370.319 where: short stacking energy: -185.971 Base-Backbone interact. energy: 0.964 local terms energy: -240.224622 where: bonds (distance) C4'-P energy: -61.848 bonds (distance) P-C4' energy: -59.444 flat angles C4'-P-C4' energy: -55.328 flat angles P-C4'-P energy: -31.204 tors. eta vs tors. theta energy: -32.401 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: 83 Temperature: 1.250000 Total energy: -508.396021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.396021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.396021 (E_RNA) where: Base-Base interactions energy: -280.448 where: short stacking energy: -167.210 Base-Backbone interact. energy: -0.285 local terms energy: -227.663977 where: bonds (distance) C4'-P energy: -57.957 bonds (distance) P-C4' energy: -62.687 flat angles C4'-P-C4' energy: -54.814 flat angles P-C4'-P energy: -31.151 tors. eta vs tors. theta energy: -21.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -356.569132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.569132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.569132 (E_RNA) where: Base-Base interactions energy: -170.370 where: short stacking energy: -111.755 Base-Backbone interact. energy: 0.274 local terms energy: -186.473130 where: bonds (distance) C4'-P energy: -46.202 bonds (distance) P-C4' energy: -56.346 flat angles C4'-P-C4' energy: -50.715 flat angles P-C4'-P energy: -31.361 tors. eta vs tors. theta energy: -1.850 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: 83 Temperature: 1.350000 Total energy: -293.204760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.204760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.204760 (E_RNA) where: Base-Base interactions energy: -113.842 where: short stacking energy: -90.405 Base-Backbone interact. energy: -0.700 local terms energy: -178.662074 where: bonds (distance) C4'-P energy: -55.389 bonds (distance) P-C4' energy: -67.531 flat angles C4'-P-C4' energy: -38.175 flat angles P-C4'-P energy: -23.706 tors. eta vs tors. theta energy: 6.139 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: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1150.801120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.801120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.801120 (E_RNA) where: Base-Base interactions energy: -767.884 where: short stacking energy: -363.984 Base-Backbone interact. energy: -0.863 local terms energy: -382.053298 where: bonds (distance) C4'-P energy: -64.133 bonds (distance) P-C4' energy: -64.846 flat angles C4'-P-C4' energy: -83.210 flat angles P-C4'-P energy: -59.787 tors. eta vs tors. theta energy: -110.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1032.406365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.406365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.406365 (E_RNA) where: Base-Base interactions energy: -686.348 where: short stacking energy: -326.861 Base-Backbone interact. energy: -0.479 local terms energy: -345.579515 where: bonds (distance) C4'-P energy: -61.539 bonds (distance) P-C4' energy: -77.060 flat angles C4'-P-C4' energy: -77.717 flat angles P-C4'-P energy: -45.441 tors. eta vs tors. theta energy: -83.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1022.393086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.393086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.393086 (E_RNA) where: Base-Base interactions energy: -689.548 where: short stacking energy: -336.731 Base-Backbone interact. energy: 1.545 local terms energy: -334.389659 where: bonds (distance) C4'-P energy: -64.770 bonds (distance) P-C4' energy: -69.360 flat angles C4'-P-C4' energy: -70.347 flat angles P-C4'-P energy: -47.676 tors. eta vs tors. theta energy: -82.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -951.019115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.019115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.019115 (E_RNA) where: Base-Base interactions energy: -641.140 where: short stacking energy: -287.417 Base-Backbone interact. energy: -0.880 local terms energy: -308.999092 where: bonds (distance) C4'-P energy: -62.157 bonds (distance) P-C4' energy: -55.807 flat angles C4'-P-C4' energy: -70.206 flat angles P-C4'-P energy: -45.731 tors. eta vs tors. theta energy: -75.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -790.442788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.442788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.442788 (E_RNA) where: Base-Base interactions energy: -505.183 where: short stacking energy: -244.916 Base-Backbone interact. energy: -0.402 local terms energy: -284.857733 where: bonds (distance) C4'-P energy: -57.563 bonds (distance) P-C4' energy: -74.680 flat angles C4'-P-C4' energy: -59.382 flat angles P-C4'-P energy: -34.712 tors. eta vs tors. theta energy: -58.521 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: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -743.679818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.679818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.679818 (E_RNA) where: Base-Base interactions energy: -474.508 where: short stacking energy: -204.761 Base-Backbone interact. energy: -1.188 local terms energy: -267.983955 where: bonds (distance) C4'-P energy: -56.493 bonds (distance) P-C4' energy: -64.754 flat angles C4'-P-C4' energy: -67.277 flat angles P-C4'-P energy: -30.771 tors. eta vs tors. theta energy: -48.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -580.769205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.769205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.769205 (E_RNA) where: Base-Base interactions energy: -320.118 where: short stacking energy: -159.015 Base-Backbone interact. energy: 0.766 local terms energy: -261.416434 where: bonds (distance) C4'-P energy: -60.127 bonds (distance) P-C4' energy: -63.868 flat angles C4'-P-C4' energy: -57.765 flat angles P-C4'-P energy: -51.247 tors. eta vs tors. theta energy: -28.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -492.658801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.658801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.658801 (E_RNA) where: Base-Base interactions energy: -249.852 where: short stacking energy: -152.308 Base-Backbone interact. energy: -1.031 local terms energy: -241.776175 where: bonds (distance) C4'-P energy: -57.803 bonds (distance) P-C4' energy: -66.178 flat angles C4'-P-C4' energy: -51.947 flat angles P-C4'-P energy: -40.428 tors. eta vs tors. theta energy: -25.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -337.553754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.553754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.553754 (E_RNA) where: Base-Base interactions energy: -143.087 where: short stacking energy: -107.116 Base-Backbone interact. energy: 2.888 local terms energy: -197.355260 where: bonds (distance) C4'-P energy: -52.720 bonds (distance) P-C4' energy: -60.685 flat angles C4'-P-C4' energy: -52.765 flat angles P-C4'-P energy: -28.857 tors. eta vs tors. theta energy: -2.327 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: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -295.284537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.284537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.284537 (E_RNA) where: Base-Base interactions energy: -119.052 where: short stacking energy: -68.737 Base-Backbone interact. energy: -1.701 local terms energy: -174.531829 where: bonds (distance) C4'-P energy: -60.429 bonds (distance) P-C4' energy: -62.704 flat angles C4'-P-C4' energy: -46.538 flat angles P-C4'-P energy: -20.153 tors. eta vs tors. theta energy: 15.292 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: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1160.864249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.864249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.864249 (E_RNA) where: Base-Base interactions energy: -787.290 where: short stacking energy: -364.539 Base-Backbone interact. energy: -1.025 local terms energy: -372.548713 where: bonds (distance) C4'-P energy: -70.194 bonds (distance) P-C4' energy: -59.274 flat angles C4'-P-C4' energy: -80.347 flat angles P-C4'-P energy: -55.991 tors. eta vs tors. theta energy: -106.743 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: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1051.362071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.362071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.362071 (E_RNA) where: Base-Base interactions energy: -713.345 where: short stacking energy: -316.430 Base-Backbone interact. energy: 1.600 local terms energy: -339.617096 where: bonds (distance) C4'-P energy: -64.163 bonds (distance) P-C4' energy: -66.225 flat angles C4'-P-C4' energy: -70.112 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -81.676 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: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -993.427541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.427541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.427541 (E_RNA) where: Base-Base interactions energy: -666.437 where: short stacking energy: -300.886 Base-Backbone interact. energy: -0.913 local terms energy: -326.077435 where: bonds (distance) C4'-P energy: -66.957 bonds (distance) P-C4' energy: -64.643 flat angles C4'-P-C4' energy: -61.448 flat angles P-C4'-P energy: -48.013 tors. eta vs tors. theta energy: -85.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -930.414408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.414408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.414408 (E_RNA) where: Base-Base interactions energy: -620.269 where: short stacking energy: -270.091 Base-Backbone interact. energy: 1.388 local terms energy: -311.532862 where: bonds (distance) C4'-P energy: -55.701 bonds (distance) P-C4' energy: -58.862 flat angles C4'-P-C4' energy: -75.849 flat angles P-C4'-P energy: -44.176 tors. eta vs tors. theta energy: -76.944 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: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -810.197529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.197529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.197529 (E_RNA) where: Base-Base interactions energy: -496.629 where: short stacking energy: -239.345 Base-Backbone interact. energy: -1.904 local terms energy: -311.664241 where: bonds (distance) C4'-P energy: -66.534 bonds (distance) P-C4' energy: -71.864 flat angles C4'-P-C4' energy: -70.811 flat angles P-C4'-P energy: -46.884 tors. eta vs tors. theta energy: -55.571 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: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -747.307708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.307708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.307708 (E_RNA) where: Base-Base interactions energy: -479.158 where: short stacking energy: -205.664 Base-Backbone interact. energy: -0.720 local terms energy: -267.429817 where: bonds (distance) C4'-P energy: -64.323 bonds (distance) P-C4' energy: -58.510 flat angles C4'-P-C4' energy: -61.916 flat angles P-C4'-P energy: -33.646 tors. eta vs tors. theta energy: -49.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -533.761618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.761618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.761618 (E_RNA) where: Base-Base interactions energy: -308.150 where: short stacking energy: -158.190 Base-Backbone interact. energy: -0.790 local terms energy: -224.821985 where: bonds (distance) C4'-P energy: -59.565 bonds (distance) P-C4' energy: -52.991 flat angles C4'-P-C4' energy: -43.912 flat angles P-C4'-P energy: -40.056 tors. eta vs tors. theta energy: -28.298 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: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -478.204227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.204227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.204227 (E_RNA) where: Base-Base interactions energy: -265.647 where: short stacking energy: -150.494 Base-Backbone interact. energy: 0.551 local terms energy: -213.108640 where: bonds (distance) C4'-P energy: -60.078 bonds (distance) P-C4' energy: -55.236 flat angles C4'-P-C4' energy: -58.853 flat angles P-C4'-P energy: -26.211 tors. eta vs tors. theta energy: -12.730 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: 85 Temperature: 1.300000 Total energy: -337.950781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.950781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.950781 (E_RNA) where: Base-Base interactions energy: -146.525 where: short stacking energy: -95.849 Base-Backbone interact. energy: 1.389 local terms energy: -192.814754 where: bonds (distance) C4'-P energy: -37.592 bonds (distance) P-C4' energy: -57.168 flat angles C4'-P-C4' energy: -54.374 flat angles P-C4'-P energy: -28.582 tors. eta vs tors. theta energy: -15.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -298.650739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.650739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.650739 (E_RNA) where: Base-Base interactions energy: -130.022 where: short stacking energy: -99.823 Base-Backbone interact. energy: 2.524 local terms energy: -171.153180 where: bonds (distance) C4'-P energy: -57.400 bonds (distance) P-C4' energy: -55.104 flat angles C4'-P-C4' energy: -43.178 flat angles P-C4'-P energy: -18.215 tors. eta vs tors. theta energy: 2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1160.220547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.220547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.220547 (E_RNA) where: Base-Base interactions energy: -788.982 where: short stacking energy: -361.113 Base-Backbone interact. energy: 0.374 local terms energy: -371.612172 where: bonds (distance) C4'-P energy: -65.736 bonds (distance) P-C4' energy: -68.517 flat angles C4'-P-C4' energy: -78.224 flat angles P-C4'-P energy: -56.458 tors. eta vs tors. theta energy: -102.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1054.456908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.456908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.456908 (E_RNA) where: Base-Base interactions energy: -708.921 where: short stacking energy: -326.757 Base-Backbone interact. energy: -0.683 local terms energy: -344.853552 where: bonds (distance) C4'-P energy: -68.527 bonds (distance) P-C4' energy: -64.836 flat angles C4'-P-C4' energy: -67.004 flat angles P-C4'-P energy: -58.156 tors. eta vs tors. theta energy: -86.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1003.923730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.923730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.923730 (E_RNA) where: Base-Base interactions energy: -666.891 where: short stacking energy: -320.177 Base-Backbone interact. energy: -0.604 local terms energy: -336.428645 where: bonds (distance) C4'-P energy: -62.176 bonds (distance) P-C4' energy: -72.170 flat angles C4'-P-C4' energy: -72.765 flat angles P-C4'-P energy: -43.986 tors. eta vs tors. theta energy: -85.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -936.315210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.315210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.315210 (E_RNA) where: Base-Base interactions energy: -631.502 where: short stacking energy: -280.689 Base-Backbone interact. energy: 1.762 local terms energy: -306.574739 where: bonds (distance) C4'-P energy: -57.178 bonds (distance) P-C4' energy: -76.317 flat angles C4'-P-C4' energy: -67.534 flat angles P-C4'-P energy: -42.461 tors. eta vs tors. theta energy: -63.085 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: 86 Temperature: 1.100000 Total energy: -838.718376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.718376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.718376 (E_RNA) where: Base-Base interactions energy: -547.271 where: short stacking energy: -259.946 Base-Backbone interact. energy: 0.906 local terms energy: -292.352874 where: bonds (distance) C4'-P energy: -58.583 bonds (distance) P-C4' energy: -60.872 flat angles C4'-P-C4' energy: -62.969 flat angles P-C4'-P energy: -48.670 tors. eta vs tors. theta energy: -61.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -781.535642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.535642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.535642 (E_RNA) where: Base-Base interactions energy: -490.943 where: short stacking energy: -226.713 Base-Backbone interact. energy: -1.070 local terms energy: -289.522851 where: bonds (distance) C4'-P energy: -61.765 bonds (distance) P-C4' energy: -67.466 flat angles C4'-P-C4' energy: -67.546 flat angles P-C4'-P energy: -49.889 tors. eta vs tors. theta energy: -42.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -530.585073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.585073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.585073 (E_RNA) where: Base-Base interactions energy: -283.729 where: short stacking energy: -172.448 Base-Backbone interact. energy: 1.704 local terms energy: -248.560624 where: bonds (distance) C4'-P energy: -56.801 bonds (distance) P-C4' energy: -60.120 flat angles C4'-P-C4' energy: -59.318 flat angles P-C4'-P energy: -32.358 tors. eta vs tors. theta energy: -39.964 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: 86 Temperature: 1.250000 Total energy: -510.788773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.788773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.788773 (E_RNA) where: Base-Base interactions energy: -279.201 where: short stacking energy: -132.459 Base-Backbone interact. energy: -1.006 local terms energy: -230.581549 where: bonds (distance) C4'-P energy: -54.393 bonds (distance) P-C4' energy: -71.834 flat angles C4'-P-C4' energy: -58.492 flat angles P-C4'-P energy: -30.095 tors. eta vs tors. theta energy: -15.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -310.903555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.903555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.903555 (E_RNA) where: Base-Base interactions energy: -118.168 where: short stacking energy: -87.722 Base-Backbone interact. energy: -0.432 local terms energy: -192.304163 where: bonds (distance) C4'-P energy: -55.730 bonds (distance) P-C4' energy: -59.842 flat angles C4'-P-C4' energy: -48.432 flat angles P-C4'-P energy: -24.860 tors. eta vs tors. theta energy: -3.439 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: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -368.525677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.525677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.525677 (E_RNA) where: Base-Base interactions energy: -153.345 where: short stacking energy: -90.262 Base-Backbone interact. energy: 1.054 local terms energy: -216.234236 where: bonds (distance) C4'-P energy: -75.072 bonds (distance) P-C4' energy: -62.013 flat angles C4'-P-C4' energy: -59.309 flat angles P-C4'-P energy: -23.656 tors. eta vs tors. theta energy: 3.816 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: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1136.736200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.736200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.736200 (E_RNA) where: Base-Base interactions energy: -759.988 where: short stacking energy: -357.932 Base-Backbone interact. energy: -0.883 local terms energy: -375.865543 where: bonds (distance) C4'-P energy: -61.468 bonds (distance) P-C4' energy: -78.684 flat angles C4'-P-C4' energy: -83.361 flat angles P-C4'-P energy: -51.146 tors. eta vs tors. theta energy: -101.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1078.133611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.133611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.133611 (E_RNA) where: Base-Base interactions energy: -719.232 where: short stacking energy: -339.427 Base-Backbone interact. energy: -1.908 local terms energy: -356.993996 where: bonds (distance) C4'-P energy: -64.406 bonds (distance) P-C4' energy: -70.859 flat angles C4'-P-C4' energy: -75.625 flat angles P-C4'-P energy: -50.184 tors. eta vs tors. theta energy: -95.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1002.372292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.372292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.372292 (E_RNA) where: Base-Base interactions energy: -671.909 where: short stacking energy: -311.838 Base-Backbone interact. energy: 0.065 local terms energy: -330.528753 where: bonds (distance) C4'-P energy: -64.729 bonds (distance) P-C4' energy: -69.725 flat angles C4'-P-C4' energy: -63.486 flat angles P-C4'-P energy: -46.325 tors. eta vs tors. theta energy: -86.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -928.096589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.096589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.096589 (E_RNA) where: Base-Base interactions energy: -608.587 where: short stacking energy: -258.585 Base-Backbone interact. energy: 1.219 local terms energy: -320.727941 where: bonds (distance) C4'-P energy: -65.275 bonds (distance) P-C4' energy: -67.500 flat angles C4'-P-C4' energy: -67.135 flat angles P-C4'-P energy: -46.235 tors. eta vs tors. theta energy: -74.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -859.015838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.015838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.015838 (E_RNA) where: Base-Base interactions energy: -549.422 where: short stacking energy: -249.043 Base-Backbone interact. energy: -0.063 local terms energy: -309.530307 where: bonds (distance) C4'-P energy: -65.075 bonds (distance) P-C4' energy: -68.989 flat angles C4'-P-C4' energy: -59.628 flat angles P-C4'-P energy: -44.828 tors. eta vs tors. theta energy: -71.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -775.689140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.689140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.689140 (E_RNA) where: Base-Base interactions energy: -488.784 where: short stacking energy: -235.234 Base-Backbone interact. energy: -0.065 local terms energy: -286.840100 where: bonds (distance) C4'-P energy: -56.933 bonds (distance) P-C4' energy: -63.640 flat angles C4'-P-C4' energy: -68.146 flat angles P-C4'-P energy: -45.747 tors. eta vs tors. theta energy: -52.374 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: 87 Temperature: 1.200000 Total energy: -460.772233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.772233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.772233 (E_RNA) where: Base-Base interactions energy: -246.660 where: short stacking energy: -157.151 Base-Backbone interact. energy: 3.332 local terms energy: -217.444883 where: bonds (distance) C4'-P energy: -55.352 bonds (distance) P-C4' energy: -61.232 flat angles C4'-P-C4' energy: -57.452 flat angles P-C4'-P energy: -32.321 tors. eta vs tors. theta energy: -11.088 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: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -509.962323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.962323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.962323 (E_RNA) where: Base-Base interactions energy: -280.213 where: short stacking energy: -155.841 Base-Backbone interact. energy: -0.723 local terms energy: -229.026268 where: bonds (distance) C4'-P energy: -56.506 bonds (distance) P-C4' energy: -60.004 flat angles C4'-P-C4' energy: -64.197 flat angles P-C4'-P energy: -28.998 tors. eta vs tors. theta energy: -19.321 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: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -348.517677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.517677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.517677 (E_RNA) where: Base-Base interactions energy: -155.530 where: short stacking energy: -113.656 Base-Backbone interact. energy: -0.881 local terms energy: -192.106948 where: bonds (distance) C4'-P energy: -65.531 bonds (distance) P-C4' energy: -54.978 flat angles C4'-P-C4' energy: -45.030 flat angles P-C4'-P energy: -22.984 tors. eta vs tors. theta energy: -3.585 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: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -350.979924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.979924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.979924 (E_RNA) where: Base-Base interactions energy: -164.629 where: short stacking energy: -90.424 Base-Backbone interact. energy: 1.596 local terms energy: -187.946751 where: bonds (distance) C4'-P energy: -55.968 bonds (distance) P-C4' energy: -58.761 flat angles C4'-P-C4' energy: -43.469 flat angles P-C4'-P energy: -32.482 tors. eta vs tors. theta energy: 2.734 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: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1151.260690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.260690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.260690 (E_RNA) where: Base-Base interactions energy: -785.300 where: short stacking energy: -354.780 Base-Backbone interact. energy: -0.357 local terms energy: -365.603694 where: bonds (distance) C4'-P energy: -67.030 bonds (distance) P-C4' energy: -71.166 flat angles C4'-P-C4' energy: -74.153 flat angles P-C4'-P energy: -45.392 tors. eta vs tors. theta energy: -107.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1038.639250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.639250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.639250 (E_RNA) where: Base-Base interactions energy: -683.172 where: short stacking energy: -302.629 Base-Backbone interact. energy: 1.792 local terms energy: -357.259664 where: bonds (distance) C4'-P energy: -72.707 bonds (distance) P-C4' energy: -71.034 flat angles C4'-P-C4' energy: -76.358 flat angles P-C4'-P energy: -50.550 tors. eta vs tors. theta energy: -86.610 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: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -995.251906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.251906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.251906 (E_RNA) where: Base-Base interactions energy: -660.078 where: short stacking energy: -310.643 Base-Backbone interact. energy: 0.527 local terms energy: -335.700842 where: bonds (distance) C4'-P energy: -66.192 bonds (distance) P-C4' energy: -67.307 flat angles C4'-P-C4' energy: -79.379 flat angles P-C4'-P energy: -41.305 tors. eta vs tors. theta energy: -81.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -917.759083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.759083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.759083 (E_RNA) where: Base-Base interactions energy: -599.904 where: short stacking energy: -275.019 Base-Backbone interact. energy: -1.019 local terms energy: -316.836280 where: bonds (distance) C4'-P energy: -65.485 bonds (distance) P-C4' energy: -64.343 flat angles C4'-P-C4' energy: -78.094 flat angles P-C4'-P energy: -43.519 tors. eta vs tors. theta energy: -65.395 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: 88 Temperature: 1.100000 Total energy: -881.503734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.503734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.503734 (E_RNA) where: Base-Base interactions energy: -573.862 where: short stacking energy: -246.734 Base-Backbone interact. energy: -0.494 local terms energy: -307.147820 where: bonds (distance) C4'-P energy: -53.584 bonds (distance) P-C4' energy: -74.808 flat angles C4'-P-C4' energy: -72.263 flat angles P-C4'-P energy: -51.893 tors. eta vs tors. theta energy: -54.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -785.878704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.878704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.878704 (E_RNA) where: Base-Base interactions energy: -514.901 where: short stacking energy: -226.371 Base-Backbone interact. energy: -1.270 local terms energy: -269.707611 where: bonds (distance) C4'-P energy: -59.689 bonds (distance) P-C4' energy: -66.267 flat angles C4'-P-C4' energy: -58.585 flat angles P-C4'-P energy: -32.801 tors. eta vs tors. theta energy: -52.365 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: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -506.332156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.332156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.332156 (E_RNA) where: Base-Base interactions energy: -280.478 where: short stacking energy: -172.928 Base-Backbone interact. energy: -1.217 local terms energy: -224.637116 where: bonds (distance) C4'-P energy: -48.037 bonds (distance) P-C4' energy: -65.541 flat angles C4'-P-C4' energy: -57.917 flat angles P-C4'-P energy: -25.385 tors. eta vs tors. theta energy: -27.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -467.363912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.363912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.363912 (E_RNA) where: Base-Base interactions energy: -229.328 where: short stacking energy: -128.380 Base-Backbone interact. energy: -0.743 local terms energy: -237.293125 where: bonds (distance) C4'-P energy: -53.113 bonds (distance) P-C4' energy: -59.439 flat angles C4'-P-C4' energy: -56.991 flat angles P-C4'-P energy: -39.784 tors. eta vs tors. theta energy: -27.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -358.539165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.539165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.539165 (E_RNA) where: Base-Base interactions energy: -144.600 where: short stacking energy: -107.172 Base-Backbone interact. energy: -1.068 local terms energy: -212.870753 where: bonds (distance) C4'-P energy: -58.705 bonds (distance) P-C4' energy: -67.698 flat angles C4'-P-C4' energy: -54.179 flat angles P-C4'-P energy: -32.337 tors. eta vs tors. theta energy: 0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -307.725168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.725168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.725168 (E_RNA) where: Base-Base interactions energy: -116.957 where: short stacking energy: -86.968 Base-Backbone interact. energy: 1.583 local terms energy: -192.351477 where: bonds (distance) C4'-P energy: -51.010 bonds (distance) P-C4' energy: -63.410 flat angles C4'-P-C4' energy: -55.084 flat angles P-C4'-P energy: -29.173 tors. eta vs tors. theta energy: 6.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1171.748399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.748399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.748399 (E_RNA) where: Base-Base interactions energy: -799.290 where: short stacking energy: -381.864 Base-Backbone interact. energy: -1.458 local terms energy: -370.999894 where: bonds (distance) C4'-P energy: -67.557 bonds (distance) P-C4' energy: -62.030 flat angles C4'-P-C4' energy: -81.828 flat angles P-C4'-P energy: -48.128 tors. eta vs tors. theta energy: -111.457 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: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1051.131521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.131521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.131521 (E_RNA) where: Base-Base interactions energy: -694.846 where: short stacking energy: -336.026 Base-Backbone interact. energy: -0.624 local terms energy: -355.661803 where: bonds (distance) C4'-P energy: -65.945 bonds (distance) P-C4' energy: -71.932 flat angles C4'-P-C4' energy: -72.240 flat angles P-C4'-P energy: -48.660 tors. eta vs tors. theta energy: -96.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -988.148644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.148644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.148644 (E_RNA) where: Base-Base interactions energy: -659.811 where: short stacking energy: -301.534 Base-Backbone interact. energy: -0.649 local terms energy: -327.688763 where: bonds (distance) C4'-P energy: -67.697 bonds (distance) P-C4' energy: -64.645 flat angles C4'-P-C4' energy: -69.662 flat angles P-C4'-P energy: -49.087 tors. eta vs tors. theta energy: -76.597 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: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -903.276067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.276067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.276067 (E_RNA) where: Base-Base interactions energy: -597.293 where: short stacking energy: -279.482 Base-Backbone interact. energy: -1.507 local terms energy: -304.476384 where: bonds (distance) C4'-P energy: -61.643 bonds (distance) P-C4' energy: -58.680 flat angles C4'-P-C4' energy: -60.911 flat angles P-C4'-P energy: -49.831 tors. eta vs tors. theta energy: -73.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -917.260637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.260637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.260637 (E_RNA) where: Base-Base interactions energy: -604.547 where: short stacking energy: -283.360 Base-Backbone interact. energy: -1.966 local terms energy: -310.748124 where: bonds (distance) C4'-P energy: -64.198 bonds (distance) P-C4' energy: -65.911 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -34.124 tors. eta vs tors. theta energy: -79.829 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: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -751.251198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.251198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.251198 (E_RNA) where: Base-Base interactions energy: -484.113 where: short stacking energy: -226.341 Base-Backbone interact. energy: -1.175 local terms energy: -265.962976 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -62.532 flat angles C4'-P-C4' energy: -53.472 flat angles P-C4'-P energy: -35.622 tors. eta vs tors. theta energy: -43.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -464.385419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.385419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.385419 (E_RNA) where: Base-Base interactions energy: -223.013 where: short stacking energy: -147.543 Base-Backbone interact. energy: 3.150 local terms energy: -244.521948 where: bonds (distance) C4'-P energy: -56.681 bonds (distance) P-C4' energy: -74.764 flat angles C4'-P-C4' energy: -61.278 flat angles P-C4'-P energy: -36.297 tors. eta vs tors. theta energy: -15.502 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: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -384.787296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.787296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.787296 (E_RNA) where: Base-Base interactions energy: -189.179 where: short stacking energy: -120.589 Base-Backbone interact. energy: -0.638 local terms energy: -194.969551 where: bonds (distance) C4'-P energy: -59.306 bonds (distance) P-C4' energy: -53.184 flat angles C4'-P-C4' energy: -51.545 flat angles P-C4'-P energy: -18.821 tors. eta vs tors. theta energy: -12.114 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: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -437.209736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.209736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.209736 (E_RNA) where: Base-Base interactions energy: -222.390 where: short stacking energy: -114.266 Base-Backbone interact. energy: -0.167 local terms energy: -214.652049 where: bonds (distance) C4'-P energy: -63.612 bonds (distance) P-C4' energy: -58.007 flat angles C4'-P-C4' energy: -38.993 flat angles P-C4'-P energy: -33.327 tors. eta vs tors. theta energy: -20.712 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: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -293.535320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.535320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.535320 (E_RNA) where: Base-Base interactions energy: -98.559 where: short stacking energy: -77.594 Base-Backbone interact. energy: -1.643 local terms energy: -193.333627 where: bonds (distance) C4'-P energy: -58.103 bonds (distance) P-C4' energy: -60.831 flat angles C4'-P-C4' energy: -45.905 flat angles P-C4'-P energy: -28.389 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: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1170.901480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.901480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.901480 (E_RNA) where: Base-Base interactions energy: -773.405 where: short stacking energy: -367.852 Base-Backbone interact. energy: -1.161 local terms energy: -396.336123 where: bonds (distance) C4'-P energy: -75.270 bonds (distance) P-C4' energy: -73.740 flat angles C4'-P-C4' energy: -76.356 flat angles P-C4'-P energy: -62.676 tors. eta vs tors. theta energy: -108.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1037.570815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.570815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.570815 (E_RNA) where: Base-Base interactions energy: -678.033 where: short stacking energy: -323.979 Base-Backbone interact. energy: -0.659 local terms energy: -358.879270 where: bonds (distance) C4'-P energy: -76.032 bonds (distance) P-C4' energy: -63.122 flat angles C4'-P-C4' energy: -77.682 flat angles P-C4'-P energy: -47.056 tors. eta vs tors. theta energy: -94.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1012.384385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.384385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.384385 (E_RNA) where: Base-Base interactions energy: -675.208 where: short stacking energy: -301.730 Base-Backbone interact. energy: -1.213 local terms energy: -335.964016 where: bonds (distance) C4'-P energy: -66.295 bonds (distance) P-C4' energy: -64.233 flat angles C4'-P-C4' energy: -71.725 flat angles P-C4'-P energy: -48.741 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: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -886.212763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.212763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.212763 (E_RNA) where: Base-Base interactions energy: -578.462 where: short stacking energy: -278.987 Base-Backbone interact. energy: -3.408 local terms energy: -304.342897 where: bonds (distance) C4'-P energy: -48.660 bonds (distance) P-C4' energy: -71.053 flat angles C4'-P-C4' energy: -61.592 flat angles P-C4'-P energy: -48.235 tors. eta vs tors. theta energy: -74.802 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: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -893.324320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.324320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.324320 (E_RNA) where: Base-Base interactions energy: -588.334 where: short stacking energy: -260.895 Base-Backbone interact. energy: -1.643 local terms energy: -303.347152 where: bonds (distance) C4'-P energy: -61.462 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -55.554 flat angles P-C4'-P energy: -48.160 tors. eta vs tors. theta energy: -76.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -760.436458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.436458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.436458 (E_RNA) where: Base-Base interactions energy: -479.481 where: short stacking energy: -239.425 Base-Backbone interact. energy: 0.363 local terms energy: -281.318651 where: bonds (distance) C4'-P energy: -53.919 bonds (distance) P-C4' energy: -59.734 flat angles C4'-P-C4' energy: -64.303 flat angles P-C4'-P energy: -50.255 tors. eta vs tors. theta energy: -53.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -479.503440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.503440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.503440 (E_RNA) where: Base-Base interactions energy: -234.850 where: short stacking energy: -168.434 Base-Backbone interact. energy: -0.628 local terms energy: -244.025216 where: bonds (distance) C4'-P energy: -67.314 bonds (distance) P-C4' energy: -54.752 flat angles C4'-P-C4' energy: -61.309 flat angles P-C4'-P energy: -36.465 tors. eta vs tors. theta energy: -24.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -427.940227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.940227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.940227 (E_RNA) where: Base-Base interactions energy: -213.788 where: short stacking energy: -153.510 Base-Backbone interact. energy: -0.998 local terms energy: -213.154645 where: bonds (distance) C4'-P energy: -59.020 bonds (distance) P-C4' energy: -52.487 flat angles C4'-P-C4' energy: -54.317 flat angles P-C4'-P energy: -34.108 tors. eta vs tors. theta energy: -13.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -447.261193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.261193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.261193 (E_RNA) where: Base-Base interactions energy: -220.206 where: short stacking energy: -134.997 Base-Backbone interact. energy: -1.920 local terms energy: -225.135992 where: bonds (distance) C4'-P energy: -64.332 bonds (distance) P-C4' energy: -50.081 flat angles C4'-P-C4' energy: -59.926 flat angles P-C4'-P energy: -37.202 tors. eta vs tors. theta energy: -13.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -295.632357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.632357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.632357 (E_RNA) where: Base-Base interactions energy: -130.326 where: short stacking energy: -102.249 Base-Backbone interact. energy: 1.608 local terms energy: -166.913868 where: bonds (distance) C4'-P energy: -49.272 bonds (distance) P-C4' energy: -69.997 flat angles C4'-P-C4' energy: -43.242 flat angles P-C4'-P energy: -15.932 tors. eta vs tors. theta energy: 11.529 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: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1180.520483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.520483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.520483 (E_RNA) where: Base-Base interactions energy: -793.424 where: short stacking energy: -377.575 Base-Backbone interact. energy: -1.050 local terms energy: -386.046827 where: bonds (distance) C4'-P energy: -74.350 bonds (distance) P-C4' energy: -67.110 flat angles C4'-P-C4' energy: -80.377 flat angles P-C4'-P energy: -49.027 tors. eta vs tors. theta energy: -115.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1029.392286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.392286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.392286 (E_RNA) where: Base-Base interactions energy: -690.137 where: short stacking energy: -335.060 Base-Backbone interact. energy: 0.382 local terms energy: -339.637015 where: bonds (distance) C4'-P energy: -57.007 bonds (distance) P-C4' energy: -58.851 flat angles C4'-P-C4' energy: -79.655 flat angles P-C4'-P energy: -61.236 tors. eta vs tors. theta energy: -82.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1007.501370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.501370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.501370 (E_RNA) where: Base-Base interactions energy: -657.395 where: short stacking energy: -299.470 Base-Backbone interact. energy: -0.955 local terms energy: -349.151985 where: bonds (distance) C4'-P energy: -69.563 bonds (distance) P-C4' energy: -63.170 flat angles C4'-P-C4' energy: -76.058 flat angles P-C4'-P energy: -51.581 tors. eta vs tors. theta energy: -88.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -910.921616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.921616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.921616 (E_RNA) where: Base-Base interactions energy: -589.349 where: short stacking energy: -269.540 Base-Backbone interact. energy: 1.843 local terms energy: -323.415457 where: bonds (distance) C4'-P energy: -71.619 bonds (distance) P-C4' energy: -67.542 flat angles C4'-P-C4' energy: -72.339 flat angles P-C4'-P energy: -35.662 tors. eta vs tors. theta energy: -76.253 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: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -882.221182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.221182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.221182 (E_RNA) where: Base-Base interactions energy: -566.485 where: short stacking energy: -268.549 Base-Backbone interact. energy: 2.660 local terms energy: -318.396419 where: bonds (distance) C4'-P energy: -64.281 bonds (distance) P-C4' energy: -65.943 flat angles C4'-P-C4' energy: -64.862 flat angles P-C4'-P energy: -47.575 tors. eta vs tors. theta energy: -75.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -731.695555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.695555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.695555 (E_RNA) where: Base-Base interactions energy: -462.366 where: short stacking energy: -226.530 Base-Backbone interact. energy: -0.933 local terms energy: -268.397026 where: bonds (distance) C4'-P energy: -67.489 bonds (distance) P-C4' energy: -55.334 flat angles C4'-P-C4' energy: -60.088 flat angles P-C4'-P energy: -39.868 tors. eta vs tors. theta energy: -45.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -488.100174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.100174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.100174 (E_RNA) where: Base-Base interactions energy: -272.072 where: short stacking energy: -135.793 Base-Backbone interact. energy: -1.664 local terms energy: -214.364011 where: bonds (distance) C4'-P energy: -64.042 bonds (distance) P-C4' energy: -51.424 flat angles C4'-P-C4' energy: -57.229 flat angles P-C4'-P energy: -28.300 tors. eta vs tors. theta energy: -13.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -464.143729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.143729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.143729 (E_RNA) where: Base-Base interactions energy: -235.562 where: short stacking energy: -143.216 Base-Backbone interact. energy: -0.170 local terms energy: -228.411933 where: bonds (distance) C4'-P energy: -63.979 bonds (distance) P-C4' energy: -63.338 flat angles C4'-P-C4' energy: -51.586 flat angles P-C4'-P energy: -34.460 tors. eta vs tors. theta energy: -15.050 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: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -360.602675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.602675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.602675 (E_RNA) where: Base-Base interactions energy: -139.370 where: short stacking energy: -90.087 Base-Backbone interact. energy: -0.823 local terms energy: -220.409738 where: bonds (distance) C4'-P energy: -66.987 bonds (distance) P-C4' energy: -58.076 flat angles C4'-P-C4' energy: -50.759 flat angles P-C4'-P energy: -37.727 tors. eta vs tors. theta energy: -6.861 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: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -284.706565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.706565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.706565 (E_RNA) where: Base-Base interactions energy: -130.692 where: short stacking energy: -101.042 Base-Backbone interact. energy: 1.711 local terms energy: -155.725598 where: bonds (distance) C4'-P energy: -50.303 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -32.228 flat angles P-C4'-P energy: -18.562 tors. eta vs tors. theta energy: 6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1172.762687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.762687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.762687 (E_RNA) where: Base-Base interactions energy: -781.086 where: short stacking energy: -353.825 Base-Backbone interact. energy: -0.885 local terms energy: -390.791148 where: bonds (distance) C4'-P energy: -75.400 bonds (distance) P-C4' energy: -72.417 flat angles C4'-P-C4' energy: -80.289 flat angles P-C4'-P energy: -54.027 tors. eta vs tors. theta energy: -108.658 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: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1014.036479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.036479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.036479 (E_RNA) where: Base-Base interactions energy: -672.277 where: short stacking energy: -304.531 Base-Backbone interact. energy: -2.154 local terms energy: -339.604679 where: bonds (distance) C4'-P energy: -69.002 bonds (distance) P-C4' energy: -67.851 flat angles C4'-P-C4' energy: -76.232 flat angles P-C4'-P energy: -45.946 tors. eta vs tors. theta energy: -80.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1018.221539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.221539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.221539 (E_RNA) where: Base-Base interactions energy: -685.579 where: short stacking energy: -317.829 Base-Backbone interact. energy: 2.913 local terms energy: -335.555593 where: bonds (distance) C4'-P energy: -68.609 bonds (distance) P-C4' energy: -63.904 flat angles C4'-P-C4' energy: -72.117 flat angles P-C4'-P energy: -40.234 tors. eta vs tors. theta energy: -90.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -932.910982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.910982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.910982 (E_RNA) where: Base-Base interactions energy: -617.886 where: short stacking energy: -282.615 Base-Backbone interact. energy: -0.857 local terms energy: -314.168148 where: bonds (distance) C4'-P energy: -66.006 bonds (distance) P-C4' energy: -53.232 flat angles C4'-P-C4' energy: -72.315 flat angles P-C4'-P energy: -48.866 tors. eta vs tors. theta energy: -73.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -904.552115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.552115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.552115 (E_RNA) where: Base-Base interactions energy: -572.373 where: short stacking energy: -284.435 Base-Backbone interact. energy: -0.555 local terms energy: -331.624419 where: bonds (distance) C4'-P energy: -70.579 bonds (distance) P-C4' energy: -72.424 flat angles C4'-P-C4' energy: -70.355 flat angles P-C4'-P energy: -45.004 tors. eta vs tors. theta energy: -73.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -745.939643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.939643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.939643 (E_RNA) where: Base-Base interactions energy: -452.369 where: short stacking energy: -223.023 Base-Backbone interact. energy: -2.657 local terms energy: -290.913962 where: bonds (distance) C4'-P energy: -59.445 bonds (distance) P-C4' energy: -63.423 flat angles C4'-P-C4' energy: -66.980 flat angles P-C4'-P energy: -44.116 tors. eta vs tors. theta energy: -56.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -519.535232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.535232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.535232 (E_RNA) where: Base-Base interactions energy: -292.517 where: short stacking energy: -173.538 Base-Backbone interact. energy: -1.962 local terms energy: -225.055353 where: bonds (distance) C4'-P energy: -63.658 bonds (distance) P-C4' energy: -53.646 flat angles C4'-P-C4' energy: -59.950 flat angles P-C4'-P energy: -23.929 tors. eta vs tors. theta energy: -23.872 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: 8, replica: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -498.033786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.033786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.033786 (E_RNA) where: Base-Base interactions energy: -285.613 where: short stacking energy: -168.084 Base-Backbone interact. energy: 1.739 local terms energy: -214.160396 where: bonds (distance) C4'-P energy: -51.138 bonds (distance) P-C4' energy: -54.005 flat angles C4'-P-C4' energy: -44.778 flat angles P-C4'-P energy: -32.029 tors. eta vs tors. theta energy: -32.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -361.916653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.916653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.916653 (E_RNA) where: Base-Base interactions energy: -156.105 where: short stacking energy: -89.299 Base-Backbone interact. energy: -0.762 local terms energy: -205.050092 where: bonds (distance) C4'-P energy: -49.744 bonds (distance) P-C4' energy: -66.605 flat angles C4'-P-C4' energy: -63.949 flat angles P-C4'-P energy: -33.326 tors. eta vs tors. theta energy: 8.573 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: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -284.100214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.100214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.100214 (E_RNA) where: Base-Base interactions energy: -111.103 where: short stacking energy: -83.255 Base-Backbone interact. energy: -0.834 local terms energy: -172.163415 where: bonds (distance) C4'-P energy: -41.702 bonds (distance) P-C4' energy: -61.144 flat angles C4'-P-C4' energy: -44.081 flat angles P-C4'-P energy: -33.877 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: 3 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1166.136354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.136354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.136354 (E_RNA) where: Base-Base interactions energy: -778.660 where: short stacking energy: -372.352 Base-Backbone interact. energy: 0.153 local terms energy: -387.629607 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -68.738 flat angles C4'-P-C4' energy: -86.522 flat angles P-C4'-P energy: -52.093 tors. eta vs tors. theta energy: -117.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1028.084262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.084262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.084262 (E_RNA) where: Base-Base interactions energy: -690.453 where: short stacking energy: -312.603 Base-Backbone interact. energy: -2.018 local terms energy: -335.613196 where: bonds (distance) C4'-P energy: -62.289 bonds (distance) P-C4' energy: -69.984 flat angles C4'-P-C4' energy: -67.496 flat angles P-C4'-P energy: -50.463 tors. eta vs tors. theta energy: -85.381 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: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1030.887984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.887984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.887984 (E_RNA) where: Base-Base interactions energy: -700.174 where: short stacking energy: -339.024 Base-Backbone interact. energy: 1.691 local terms energy: -332.404267 where: bonds (distance) C4'-P energy: -61.116 bonds (distance) P-C4' energy: -67.191 flat angles C4'-P-C4' energy: -65.158 flat angles P-C4'-P energy: -42.927 tors. eta vs tors. theta energy: -96.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -929.386764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.386764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.386764 (E_RNA) where: Base-Base interactions energy: -616.268 where: short stacking energy: -281.249 Base-Backbone interact. energy: -0.844 local terms energy: -312.275343 where: bonds (distance) C4'-P energy: -63.379 bonds (distance) P-C4' energy: -64.632 flat angles C4'-P-C4' energy: -71.929 flat angles P-C4'-P energy: -46.027 tors. eta vs tors. theta energy: -66.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -899.093078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.093078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.093078 (E_RNA) where: Base-Base interactions energy: -588.153 where: short stacking energy: -297.325 Base-Backbone interact. energy: -1.307 local terms energy: -309.632485 where: bonds (distance) C4'-P energy: -62.650 bonds (distance) P-C4' energy: -51.527 flat angles C4'-P-C4' energy: -67.790 flat angles P-C4'-P energy: -43.335 tors. eta vs tors. theta energy: -84.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -754.208754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.208754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.208754 (E_RNA) where: Base-Base interactions energy: -477.305 where: short stacking energy: -234.082 Base-Backbone interact. energy: 0.236 local terms energy: -277.140609 where: bonds (distance) C4'-P energy: -58.376 bonds (distance) P-C4' energy: -64.021 flat angles C4'-P-C4' energy: -67.070 flat angles P-C4'-P energy: -40.795 tors. eta vs tors. theta energy: -46.879 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: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -569.792962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.792962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.792962 (E_RNA) where: Base-Base interactions energy: -309.149 where: short stacking energy: -185.662 Base-Backbone interact. energy: 3.576 local terms energy: -264.220671 where: bonds (distance) C4'-P energy: -55.390 bonds (distance) P-C4' energy: -59.710 flat angles C4'-P-C4' energy: -55.873 flat angles P-C4'-P energy: -44.548 tors. eta vs tors. theta energy: -48.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -480.595679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.595679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.595679 (E_RNA) where: Base-Base interactions energy: -266.592 where: short stacking energy: -151.082 Base-Backbone interact. energy: 1.631 local terms energy: -215.634368 where: bonds (distance) C4'-P energy: -52.053 bonds (distance) P-C4' energy: -54.971 flat angles C4'-P-C4' energy: -46.997 flat angles P-C4'-P energy: -40.408 tors. eta vs tors. theta energy: -21.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -359.661806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.661806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.661806 (E_RNA) where: Base-Base interactions energy: -161.761 where: short stacking energy: -117.730 Base-Backbone interact. energy: 1.867 local terms energy: -199.768191 where: bonds (distance) C4'-P energy: -50.014 bonds (distance) P-C4' energy: -55.619 flat angles C4'-P-C4' energy: -62.061 flat angles P-C4'-P energy: -27.868 tors. eta vs tors. theta energy: -4.205 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: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -316.013319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.013319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.013319 (E_RNA) where: Base-Base interactions energy: -124.880 where: short stacking energy: -85.854 Base-Backbone interact. energy: -1.285 local terms energy: -189.849141 where: bonds (distance) C4'-P energy: -58.547 bonds (distance) P-C4' energy: -43.148 flat angles C4'-P-C4' energy: -44.188 flat angles P-C4'-P energy: -37.274 tors. eta vs tors. theta energy: -6.692 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: 1, replica: 3 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1172.202436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.202436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.202436 (E_RNA) where: Base-Base interactions energy: -778.474 where: short stacking energy: -356.659 Base-Backbone interact. energy: -0.368 local terms energy: -393.359641 where: bonds (distance) C4'-P energy: -72.932 bonds (distance) P-C4' energy: -76.418 flat angles C4'-P-C4' energy: -75.571 flat angles P-C4'-P energy: -59.416 tors. eta vs tors. theta energy: -109.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1042.896186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.896186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.896186 (E_RNA) where: Base-Base interactions energy: -705.327 where: short stacking energy: -313.178 Base-Backbone interact. energy: 0.147 local terms energy: -337.716282 where: bonds (distance) C4'-P energy: -66.711 bonds (distance) P-C4' energy: -70.048 flat angles C4'-P-C4' energy: -70.374 flat angles P-C4'-P energy: -49.074 tors. eta vs tors. theta energy: -81.510 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: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1012.668041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.668041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.668041 (E_RNA) where: Base-Base interactions energy: -656.094 where: short stacking energy: -306.084 Base-Backbone interact. energy: -2.561 local terms energy: -354.013936 where: bonds (distance) C4'-P energy: -71.586 bonds (distance) P-C4' energy: -68.438 flat angles C4'-P-C4' energy: -72.210 flat angles P-C4'-P energy: -52.065 tors. eta vs tors. theta energy: -89.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -936.602316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.602316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.602316 (E_RNA) where: Base-Base interactions energy: -630.177 where: short stacking energy: -290.418 Base-Backbone interact. energy: -1.542 local terms energy: -304.882773 where: bonds (distance) C4'-P energy: -58.380 bonds (distance) P-C4' energy: -68.435 flat angles C4'-P-C4' energy: -59.557 flat angles P-C4'-P energy: -43.983 tors. eta vs tors. theta energy: -74.528 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: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -869.868312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.868312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.868312 (E_RNA) where: Base-Base interactions energy: -559.586 where: short stacking energy: -266.262 Base-Backbone interact. energy: -1.145 local terms energy: -309.137954 where: bonds (distance) C4'-P energy: -57.263 bonds (distance) P-C4' energy: -71.091 flat angles C4'-P-C4' energy: -62.544 flat angles P-C4'-P energy: -49.855 tors. eta vs tors. theta energy: -68.385 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: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -752.388520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.388520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.388520 (E_RNA) where: Base-Base interactions energy: -454.016 where: short stacking energy: -215.254 Base-Backbone interact. energy: -1.092 local terms energy: -297.281003 where: bonds (distance) C4'-P energy: -61.065 bonds (distance) P-C4' energy: -66.057 flat angles C4'-P-C4' energy: -76.011 flat angles P-C4'-P energy: -43.490 tors. eta vs tors. theta energy: -50.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -494.810479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.810479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.810479 (E_RNA) where: Base-Base interactions energy: -267.215 where: short stacking energy: -154.035 Base-Backbone interact. energy: -0.023 local terms energy: -227.572214 where: bonds (distance) C4'-P energy: -67.640 bonds (distance) P-C4' energy: -58.776 flat angles C4'-P-C4' energy: -52.480 flat angles P-C4'-P energy: -36.393 tors. eta vs tors. theta energy: -12.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -497.776676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.776676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.776676 (E_RNA) where: Base-Base interactions energy: -271.247 where: short stacking energy: -161.233 Base-Backbone interact. energy: 0.645 local terms energy: -227.173825 where: bonds (distance) C4'-P energy: -58.517 bonds (distance) P-C4' energy: -48.885 flat angles C4'-P-C4' energy: -55.232 flat angles P-C4'-P energy: -31.328 tors. eta vs tors. theta energy: -33.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -332.850893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.850893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.850893 (E_RNA) where: Base-Base interactions energy: -154.294 where: short stacking energy: -113.317 Base-Backbone interact. energy: 2.059 local terms energy: -180.615872 where: bonds (distance) C4'-P energy: -48.576 bonds (distance) P-C4' energy: -53.497 flat angles C4'-P-C4' energy: -50.897 flat angles P-C4'-P energy: -28.164 tors. eta vs tors. theta energy: 0.518 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: 94 Temperature: 1.350000 Total energy: -331.254694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.254694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.254694 (E_RNA) where: Base-Base interactions energy: -159.361 where: short stacking energy: -111.261 Base-Backbone interact. energy: 1.046 local terms energy: -172.939902 where: bonds (distance) C4'-P energy: -45.078 bonds (distance) P-C4' energy: -50.672 flat angles C4'-P-C4' energy: -50.695 flat angles P-C4'-P energy: -28.365 tors. eta vs tors. theta energy: 1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1150.188685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.188685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.188685 (E_RNA) where: Base-Base interactions energy: -780.588 where: short stacking energy: -370.935 Base-Backbone interact. energy: -0.606 local terms energy: -368.994403 where: bonds (distance) C4'-P energy: -55.741 bonds (distance) P-C4' energy: -75.963 flat angles C4'-P-C4' energy: -78.809 flat angles P-C4'-P energy: -50.234 tors. eta vs tors. theta energy: -108.247 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: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1067.828624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.828624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.828624 (E_RNA) where: Base-Base interactions energy: -703.560 where: short stacking energy: -345.451 Base-Backbone interact. energy: -0.309 local terms energy: -363.959546 where: bonds (distance) C4'-P energy: -70.465 bonds (distance) P-C4' energy: -64.288 flat angles C4'-P-C4' energy: -78.008 flat angles P-C4'-P energy: -51.111 tors. eta vs tors. theta energy: -100.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1005.158919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.158919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.158919 (E_RNA) where: Base-Base interactions energy: -684.363 where: short stacking energy: -298.829 Base-Backbone interact. energy: -0.597 local terms energy: -320.198869 where: bonds (distance) C4'-P energy: -68.674 bonds (distance) P-C4' energy: -53.069 flat angles C4'-P-C4' energy: -68.985 flat angles P-C4'-P energy: -54.023 tors. eta vs tors. theta energy: -75.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -986.082973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.082973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.082973 (E_RNA) where: Base-Base interactions energy: -641.492 where: short stacking energy: -275.781 Base-Backbone interact. energy: -1.258 local terms energy: -343.332860 where: bonds (distance) C4'-P energy: -77.488 bonds (distance) P-C4' energy: -61.724 flat angles C4'-P-C4' energy: -77.881 flat angles P-C4'-P energy: -52.149 tors. eta vs tors. theta energy: -74.091 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: 95 Temperature: 1.100000 Total energy: -892.087449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.087449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.087449 (E_RNA) where: Base-Base interactions energy: -576.734 where: short stacking energy: -284.271 Base-Backbone interact. energy: -0.758 local terms energy: -314.595638 where: bonds (distance) C4'-P energy: -59.617 bonds (distance) P-C4' energy: -65.838 flat angles C4'-P-C4' energy: -71.517 flat angles P-C4'-P energy: -43.766 tors. eta vs tors. theta energy: -73.857 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: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -769.591412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.591412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.591412 (E_RNA) where: Base-Base interactions energy: -467.117 where: short stacking energy: -226.618 Base-Backbone interact. energy: -0.282 local terms energy: -302.192157 where: bonds (distance) C4'-P energy: -51.761 bonds (distance) P-C4' energy: -70.033 flat angles C4'-P-C4' energy: -71.404 flat angles P-C4'-P energy: -43.782 tors. eta vs tors. theta energy: -65.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -517.324054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.324054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.324054 (E_RNA) where: Base-Base interactions energy: -266.942 where: short stacking energy: -161.237 Base-Backbone interact. energy: -0.776 local terms energy: -249.605927 where: bonds (distance) C4'-P energy: -60.406 bonds (distance) P-C4' energy: -70.941 flat angles C4'-P-C4' energy: -69.181 flat angles P-C4'-P energy: -25.261 tors. eta vs tors. theta energy: -23.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -516.041041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.041041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.041041 (E_RNA) where: Base-Base interactions energy: -274.384 where: short stacking energy: -162.059 Base-Backbone interact. energy: -1.285 local terms energy: -240.372467 where: bonds (distance) C4'-P energy: -55.615 bonds (distance) P-C4' energy: -65.578 flat angles C4'-P-C4' energy: -53.854 flat angles P-C4'-P energy: -35.466 tors. eta vs tors. theta energy: -29.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -328.788321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.788321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.788321 (E_RNA) where: Base-Base interactions energy: -125.295 where: short stacking energy: -94.693 Base-Backbone interact. energy: -0.440 local terms energy: -203.053209 where: bonds (distance) C4'-P energy: -54.951 bonds (distance) P-C4' energy: -56.392 flat angles C4'-P-C4' energy: -55.294 flat angles P-C4'-P energy: -32.531 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -278.003173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.003173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.003173 (E_RNA) where: Base-Base interactions energy: -102.616 where: short stacking energy: -76.502 Base-Backbone interact. energy: 2.095 local terms energy: -177.482165 where: bonds (distance) C4'-P energy: -57.986 bonds (distance) P-C4' energy: -58.285 flat angles C4'-P-C4' energy: -40.782 flat angles P-C4'-P energy: -30.270 tors. eta vs tors. theta energy: 9.840 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: 96 Temperature: 0.900000 Total energy: -1152.745936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.745936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.745936 (E_RNA) where: Base-Base interactions energy: -765.850 where: short stacking energy: -364.086 Base-Backbone interact. energy: -1.179 local terms energy: -385.717243 where: bonds (distance) C4'-P energy: -70.432 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -74.777 flat angles P-C4'-P energy: -57.101 tors. eta vs tors. theta energy: -112.470 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: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1076.822423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.822423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.822423 (E_RNA) where: Base-Base interactions energy: -708.058 where: short stacking energy: -327.120 Base-Backbone interact. energy: -0.847 local terms energy: -367.917383 where: bonds (distance) C4'-P energy: -68.606 bonds (distance) P-C4' energy: -73.389 flat angles C4'-P-C4' energy: -81.506 flat angles P-C4'-P energy: -50.881 tors. eta vs tors. theta energy: -93.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1045.015525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.015525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.015525 (E_RNA) where: Base-Base interactions energy: -699.608 where: short stacking energy: -337.600 Base-Backbone interact. energy: 0.699 local terms energy: -346.106636 where: bonds (distance) C4'-P energy: -67.165 bonds (distance) P-C4' energy: -65.409 flat angles C4'-P-C4' energy: -67.994 flat angles P-C4'-P energy: -46.459 tors. eta vs tors. theta energy: -99.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -974.811897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.811897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.811897 (E_RNA) where: Base-Base interactions energy: -653.282 where: short stacking energy: -290.016 Base-Backbone interact. energy: -0.915 local terms energy: -320.614615 where: bonds (distance) C4'-P energy: -66.048 bonds (distance) P-C4' energy: -69.787 flat angles C4'-P-C4' energy: -69.769 flat angles P-C4'-P energy: -41.903 tors. eta vs tors. theta energy: -73.108 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: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -927.657674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.657674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.657674 (E_RNA) where: Base-Base interactions energy: -613.604 where: short stacking energy: -291.090 Base-Backbone interact. energy: -0.220 local terms energy: -313.834419 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -60.296 flat angles C4'-P-C4' energy: -79.172 flat angles P-C4'-P energy: -36.161 tors. eta vs tors. theta energy: -78.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -764.672980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.672980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.672980 (E_RNA) where: Base-Base interactions energy: -479.232 where: short stacking energy: -203.170 Base-Backbone interact. energy: 0.413 local terms energy: -285.853647 where: bonds (distance) C4'-P energy: -67.291 bonds (distance) P-C4' energy: -65.041 flat angles C4'-P-C4' energy: -70.724 flat angles P-C4'-P energy: -40.937 tors. eta vs tors. theta energy: -41.861 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: 96 Temperature: 1.200000 Total energy: -564.194356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.194356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.194356 (E_RNA) where: Base-Base interactions energy: -305.389 where: short stacking energy: -174.553 Base-Backbone interact. energy: -2.596 local terms energy: -256.208955 where: bonds (distance) C4'-P energy: -55.503 bonds (distance) P-C4' energy: -67.077 flat angles C4'-P-C4' energy: -60.871 flat angles P-C4'-P energy: -40.126 tors. eta vs tors. theta energy: -32.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -520.031817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.031817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.031817 (E_RNA) where: Base-Base interactions energy: -273.405 where: short stacking energy: -161.994 Base-Backbone interact. energy: -1.230 local terms energy: -245.397425 where: bonds (distance) C4'-P energy: -50.942 bonds (distance) P-C4' energy: -68.969 flat angles C4'-P-C4' energy: -62.472 flat angles P-C4'-P energy: -43.369 tors. eta vs tors. theta energy: -19.645 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: 10 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -326.221001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.221001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.221001 (E_RNA) where: Base-Base interactions energy: -130.675 where: short stacking energy: -111.457 Base-Backbone interact. energy: -0.763 local terms energy: -194.782985 where: bonds (distance) C4'-P energy: -48.867 bonds (distance) P-C4' energy: -59.304 flat angles C4'-P-C4' energy: -57.217 flat angles P-C4'-P energy: -23.064 tors. eta vs tors. theta energy: -6.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -302.901722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.901722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.901722 (E_RNA) where: Base-Base interactions energy: -125.621 where: short stacking energy: -89.372 Base-Backbone interact. energy: -1.253 local terms energy: -176.028134 where: bonds (distance) C4'-P energy: -51.147 bonds (distance) P-C4' energy: -62.246 flat angles C4'-P-C4' energy: -52.409 flat angles P-C4'-P energy: -19.799 tors. eta vs tors. theta energy: 9.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1168.368805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.368805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.368805 (E_RNA) where: Base-Base interactions energy: -785.972 where: short stacking energy: -377.634 Base-Backbone interact. energy: 1.421 local terms energy: -383.817931 where: bonds (distance) C4'-P energy: -66.834 bonds (distance) P-C4' energy: -68.397 flat angles C4'-P-C4' energy: -78.419 flat angles P-C4'-P energy: -52.417 tors. eta vs tors. theta energy: -117.751 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: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1054.091389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.091389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.091389 (E_RNA) where: Base-Base interactions energy: -702.459 where: short stacking energy: -324.936 Base-Backbone interact. energy: -0.932 local terms energy: -350.700459 where: bonds (distance) C4'-P energy: -72.041 bonds (distance) P-C4' energy: -65.147 flat angles C4'-P-C4' energy: -70.838 flat angles P-C4'-P energy: -47.525 tors. eta vs tors. theta energy: -95.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1010.291800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.291800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.291800 (E_RNA) where: Base-Base interactions energy: -669.448 where: short stacking energy: -316.998 Base-Backbone interact. energy: -0.839 local terms energy: -340.004681 where: bonds (distance) C4'-P energy: -59.181 bonds (distance) P-C4' energy: -72.247 flat angles C4'-P-C4' energy: -79.272 flat angles P-C4'-P energy: -43.782 tors. eta vs tors. theta energy: -85.523 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: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -952.045716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.045716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.045716 (E_RNA) where: Base-Base interactions energy: -629.686 where: short stacking energy: -279.766 Base-Backbone interact. energy: 1.324 local terms energy: -323.684020 where: bonds (distance) C4'-P energy: -57.397 bonds (distance) P-C4' energy: -74.306 flat angles C4'-P-C4' energy: -72.033 flat angles P-C4'-P energy: -45.707 tors. eta vs tors. theta energy: -74.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -893.452366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.452366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.452366 (E_RNA) where: Base-Base interactions energy: -581.091 where: short stacking energy: -271.113 Base-Backbone interact. energy: 0.879 local terms energy: -313.240330 where: bonds (distance) C4'-P energy: -60.718 bonds (distance) P-C4' energy: -71.418 flat angles C4'-P-C4' energy: -74.320 flat angles P-C4'-P energy: -38.787 tors. eta vs tors. theta energy: -67.997 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: 6, replica: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -731.040455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.040455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.040455 (E_RNA) where: Base-Base interactions energy: -473.874 where: short stacking energy: -228.685 Base-Backbone interact. energy: -1.425 local terms energy: -255.741303 where: bonds (distance) C4'-P energy: -51.318 bonds (distance) P-C4' energy: -64.609 flat angles C4'-P-C4' energy: -55.436 flat angles P-C4'-P energy: -30.480 tors. eta vs tors. theta energy: -53.898 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: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -607.116537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.116537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.116537 (E_RNA) where: Base-Base interactions energy: -344.552 where: short stacking energy: -164.443 Base-Backbone interact. energy: 6.133 local terms energy: -268.697075 where: bonds (distance) C4'-P energy: -66.284 bonds (distance) P-C4' energy: -69.191 flat angles C4'-P-C4' energy: -51.396 flat angles P-C4'-P energy: -44.651 tors. eta vs tors. theta energy: -37.175 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: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -528.261026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.261026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.261026 (E_RNA) where: Base-Base interactions energy: -294.782 where: short stacking energy: -167.197 Base-Backbone interact. energy: -1.050 local terms energy: -232.428489 where: bonds (distance) C4'-P energy: -60.480 bonds (distance) P-C4' energy: -60.624 flat angles C4'-P-C4' energy: -57.358 flat angles P-C4'-P energy: -18.440 tors. eta vs tors. theta energy: -35.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -331.669797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.669797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.669797 (E_RNA) where: Base-Base interactions energy: -159.274 where: short stacking energy: -105.167 Base-Backbone interact. energy: 0.101 local terms energy: -172.496652 where: bonds (distance) C4'-P energy: -64.273 bonds (distance) P-C4' energy: -44.852 flat angles C4'-P-C4' energy: -39.392 flat angles P-C4'-P energy: -24.979 tors. eta vs tors. theta energy: 0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -287.320165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.320165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.320165 (E_RNA) where: Base-Base interactions energy: -82.593 where: short stacking energy: -77.260 Base-Backbone interact. energy: -1.275 local terms energy: -203.452228 where: bonds (distance) C4'-P energy: -60.567 bonds (distance) P-C4' energy: -60.767 flat angles C4'-P-C4' energy: -57.764 flat angles P-C4'-P energy: -34.627 tors. eta vs tors. theta energy: 10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1165.645235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.645235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.645235 (E_RNA) where: Base-Base interactions energy: -773.794 where: short stacking energy: -366.175 Base-Backbone interact. energy: -3.028 local terms energy: -388.822959 where: bonds (distance) C4'-P energy: -77.698 bonds (distance) P-C4' energy: -68.512 flat angles C4'-P-C4' energy: -80.160 flat angles P-C4'-P energy: -56.088 tors. eta vs tors. theta energy: -106.364 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: 2, replica: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1059.245111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.245111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.245111 (E_RNA) where: Base-Base interactions energy: -702.258 where: short stacking energy: -325.384 Base-Backbone interact. energy: 0.157 local terms energy: -357.144175 where: bonds (distance) C4'-P energy: -67.238 bonds (distance) P-C4' energy: -71.498 flat angles C4'-P-C4' energy: -83.920 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -87.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1038.822575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.822575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.822575 (E_RNA) where: Base-Base interactions energy: -698.316 where: short stacking energy: -325.145 Base-Backbone interact. energy: -2.192 local terms energy: -338.314785 where: bonds (distance) C4'-P energy: -62.999 bonds (distance) P-C4' energy: -66.725 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -56.904 tors. eta vs tors. theta energy: -78.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -944.350242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.350242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.350242 (E_RNA) where: Base-Base interactions energy: -629.014 where: short stacking energy: -280.806 Base-Backbone interact. energy: -1.860 local terms energy: -313.476284 where: bonds (distance) C4'-P energy: -69.917 bonds (distance) P-C4' energy: -59.398 flat angles C4'-P-C4' energy: -71.221 flat angles P-C4'-P energy: -46.654 tors. eta vs tors. theta energy: -66.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -913.939386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.939386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.939386 (E_RNA) where: Base-Base interactions energy: -585.233 where: short stacking energy: -255.742 Base-Backbone interact. energy: -1.496 local terms energy: -327.209854 where: bonds (distance) C4'-P energy: -71.098 bonds (distance) P-C4' energy: -66.651 flat angles C4'-P-C4' energy: -64.748 flat angles P-C4'-P energy: -43.862 tors. eta vs tors. theta energy: -80.851 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: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -809.643471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.643471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.643471 (E_RNA) where: Base-Base interactions energy: -528.074 where: short stacking energy: -258.591 Base-Backbone interact. energy: 1.598 local terms energy: -283.168206 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -62.335 flat angles C4'-P-C4' energy: -56.118 flat angles P-C4'-P energy: -47.637 tors. eta vs tors. theta energy: -53.781 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: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -595.759856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.759856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.759856 (E_RNA) where: Base-Base interactions energy: -339.696 where: short stacking energy: -160.432 Base-Backbone interact. energy: -1.873 local terms energy: -254.191168 where: bonds (distance) C4'-P energy: -63.379 bonds (distance) P-C4' energy: -57.880 flat angles C4'-P-C4' energy: -59.562 flat angles P-C4'-P energy: -40.582 tors. eta vs tors. theta energy: -32.789 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: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -516.088024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.088024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.088024 (E_RNA) where: Base-Base interactions energy: -259.758 where: short stacking energy: -155.680 Base-Backbone interact. energy: -1.242 local terms energy: -255.088325 where: bonds (distance) C4'-P energy: -60.110 bonds (distance) P-C4' energy: -68.718 flat angles C4'-P-C4' energy: -52.115 flat angles P-C4'-P energy: -35.303 tors. eta vs tors. theta energy: -38.842 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: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -323.632582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.632582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.632582 (E_RNA) where: Base-Base interactions energy: -108.449 where: short stacking energy: -75.510 Base-Backbone interact. energy: -0.211 local terms energy: -214.972747 where: bonds (distance) C4'-P energy: -66.664 bonds (distance) P-C4' energy: -51.413 flat angles C4'-P-C4' energy: -57.347 flat angles P-C4'-P energy: -42.307 tors. eta vs tors. theta energy: 2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -303.188966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.188966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.188966 (E_RNA) where: Base-Base interactions energy: -99.377 where: short stacking energy: -85.482 Base-Backbone interact. energy: -0.640 local terms energy: -203.172535 where: bonds (distance) C4'-P energy: -41.209 bonds (distance) P-C4' energy: -68.358 flat angles C4'-P-C4' energy: -51.459 flat angles P-C4'-P energy: -37.002 tors. eta vs tors. theta energy: -5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1171.149848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.149848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.149848 (E_RNA) where: Base-Base interactions energy: -792.425 where: short stacking energy: -377.735 Base-Backbone interact. energy: -2.322 local terms energy: -376.402516 where: bonds (distance) C4'-P energy: -61.078 bonds (distance) P-C4' energy: -73.553 flat angles C4'-P-C4' energy: -79.688 flat angles P-C4'-P energy: -49.102 tors. eta vs tors. theta energy: -112.980 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: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1073.719747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.719747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.719747 (E_RNA) where: Base-Base interactions energy: -726.838 where: short stacking energy: -335.421 Base-Backbone interact. energy: -0.432 local terms energy: -346.450315 where: bonds (distance) C4'-P energy: -67.156 bonds (distance) P-C4' energy: -66.065 flat angles C4'-P-C4' energy: -76.630 flat angles P-C4'-P energy: -49.543 tors. eta vs tors. theta energy: -87.056 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: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1040.284067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.284067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.284067 (E_RNA) where: Base-Base interactions energy: -709.871 where: short stacking energy: -333.408 Base-Backbone interact. energy: -1.576 local terms energy: -328.837275 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -70.546 flat angles C4'-P-C4' energy: -74.319 flat angles P-C4'-P energy: -38.427 tors. eta vs tors. theta energy: -92.236 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: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -961.394431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.394431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.394431 (E_RNA) where: Base-Base interactions energy: -621.717 where: short stacking energy: -297.469 Base-Backbone interact. energy: 0.161 local terms energy: -339.838574 where: bonds (distance) C4'-P energy: -66.968 bonds (distance) P-C4' energy: -72.902 flat angles C4'-P-C4' energy: -72.297 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -79.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -913.354765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.354765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.354765 (E_RNA) where: Base-Base interactions energy: -628.327 where: short stacking energy: -267.289 Base-Backbone interact. energy: -1.743 local terms energy: -283.285486 where: bonds (distance) C4'-P energy: -51.708 bonds (distance) P-C4' energy: -66.027 flat angles C4'-P-C4' energy: -67.997 flat angles P-C4'-P energy: -32.676 tors. eta vs tors. theta energy: -64.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -778.391822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.391822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.391822 (E_RNA) where: Base-Base interactions energy: -506.035 where: short stacking energy: -235.107 Base-Backbone interact. energy: -0.980 local terms energy: -271.376504 where: bonds (distance) C4'-P energy: -46.224 bonds (distance) P-C4' energy: -55.618 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -44.557 tors. eta vs tors. theta energy: -54.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -611.668540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.668540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.668540 (E_RNA) where: Base-Base interactions energy: -340.310 where: short stacking energy: -182.542 Base-Backbone interact. energy: -1.596 local terms energy: -269.762553 where: bonds (distance) C4'-P energy: -56.011 bonds (distance) P-C4' energy: -71.954 flat angles C4'-P-C4' energy: -55.877 flat angles P-C4'-P energy: -48.539 tors. eta vs tors. theta energy: -37.381 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: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -567.905399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.905399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.905399 (E_RNA) where: Base-Base interactions energy: -300.558 where: short stacking energy: -193.181 Base-Backbone interact. energy: 0.640 local terms energy: -267.987275 where: bonds (distance) C4'-P energy: -56.815 bonds (distance) P-C4' energy: -70.430 flat angles C4'-P-C4' energy: -53.682 flat angles P-C4'-P energy: -35.401 tors. eta vs tors. theta energy: -51.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -305.822622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.822622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.822622 (E_RNA) where: Base-Base interactions energy: -129.335 where: short stacking energy: -105.524 Base-Backbone interact. energy: -0.218 local terms energy: -176.269005 where: bonds (distance) C4'-P energy: -53.288 bonds (distance) P-C4' energy: -57.311 flat angles C4'-P-C4' energy: -50.107 flat angles P-C4'-P energy: -19.078 tors. eta vs tors. theta energy: 3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -267.105903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.105903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.105903 (E_RNA) where: Base-Base interactions energy: -81.494 where: short stacking energy: -73.550 Base-Backbone interact. energy: 0.463 local terms energy: -186.074688 where: bonds (distance) C4'-P energy: -60.188 bonds (distance) P-C4' energy: -55.404 flat angles C4'-P-C4' energy: -44.176 flat angles P-C4'-P energy: -42.534 tors. eta vs tors. theta energy: 16.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1162.228656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.228656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.228656 (E_RNA) where: Base-Base interactions energy: -775.133 where: short stacking energy: -367.328 Base-Backbone interact. energy: -0.628 local terms energy: -386.467921 where: bonds (distance) C4'-P energy: -72.340 bonds (distance) P-C4' energy: -72.676 flat angles C4'-P-C4' energy: -74.781 flat angles P-C4'-P energy: -52.527 tors. eta vs tors. theta energy: -114.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1077.381855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.381855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.381855 (E_RNA) where: Base-Base interactions energy: -729.629 where: short stacking energy: -325.405 Base-Backbone interact. energy: -1.242 local terms energy: -346.510251 where: bonds (distance) C4'-P energy: -69.940 bonds (distance) P-C4' energy: -55.759 flat angles C4'-P-C4' energy: -76.373 flat angles P-C4'-P energy: -47.439 tors. eta vs tors. theta energy: -96.999 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: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1047.464179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.464179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.464179 (E_RNA) where: Base-Base interactions energy: -692.250 where: short stacking energy: -315.378 Base-Backbone interact. energy: 0.063 local terms energy: -355.277136 where: bonds (distance) C4'-P energy: -69.168 bonds (distance) P-C4' energy: -68.930 flat angles C4'-P-C4' energy: -72.496 flat angles P-C4'-P energy: -52.500 tors. eta vs tors. theta energy: -92.184 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: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -933.143461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.143461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.143461 (E_RNA) where: Base-Base interactions energy: -624.015 where: short stacking energy: -302.553 Base-Backbone interact. energy: 0.073 local terms energy: -309.201809 where: bonds (distance) C4'-P energy: -52.953 bonds (distance) P-C4' energy: -65.383 flat angles C4'-P-C4' energy: -63.103 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: -79.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -869.797823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.797823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.797823 (E_RNA) where: Base-Base interactions energy: -580.369 where: short stacking energy: -262.735 Base-Backbone interact. energy: -3.777 local terms energy: -285.651600 where: bonds (distance) C4'-P energy: -44.819 bonds (distance) P-C4' energy: -66.997 flat angles C4'-P-C4' energy: -62.726 flat angles P-C4'-P energy: -41.382 tors. eta vs tors. theta energy: -69.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -776.446481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.446481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.446481 (E_RNA) where: Base-Base interactions energy: -489.732 where: short stacking energy: -227.836 Base-Backbone interact. energy: -1.241 local terms energy: -285.473709 where: bonds (distance) C4'-P energy: -64.172 bonds (distance) P-C4' energy: -59.915 flat angles C4'-P-C4' energy: -67.201 flat angles P-C4'-P energy: -43.516 tors. eta vs tors. theta energy: -50.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -622.159611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.159611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.159611 (E_RNA) where: Base-Base interactions energy: -365.444 where: short stacking energy: -206.575 Base-Backbone interact. energy: -1.685 local terms energy: -255.030774 where: bonds (distance) C4'-P energy: -56.303 bonds (distance) P-C4' energy: -52.924 flat angles C4'-P-C4' energy: -61.441 flat angles P-C4'-P energy: -35.437 tors. eta vs tors. theta energy: -48.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -507.250152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.250152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.250152 (E_RNA) where: Base-Base interactions energy: -275.269 where: short stacking energy: -157.643 Base-Backbone interact. energy: -1.478 local terms energy: -230.502792 where: bonds (distance) C4'-P energy: -57.409 bonds (distance) P-C4' energy: -60.532 flat angles C4'-P-C4' energy: -56.852 flat angles P-C4'-P energy: -37.993 tors. eta vs tors. theta energy: -17.717 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: 100 Temperature: 1.300000 Total energy: -301.810914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.810914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.810914 (E_RNA) where: Base-Base interactions energy: -104.090 where: short stacking energy: -89.229 Base-Backbone interact. energy: 2.215 local terms energy: -199.936218 where: bonds (distance) C4'-P energy: -63.964 bonds (distance) P-C4' energy: -58.762 flat angles C4'-P-C4' energy: -58.173 flat angles P-C4'-P energy: -32.159 tors. eta vs tors. theta energy: 13.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -271.262158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.262158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.262158 (E_RNA) where: Base-Base interactions energy: -110.318 where: short stacking energy: -106.159 Base-Backbone interact. energy: 4.138 local terms energy: -165.082705 where: bonds (distance) C4'-P energy: -46.678 bonds (distance) P-C4' energy: -49.623 flat angles C4'-P-C4' energy: -53.232 flat angles P-C4'-P energy: -14.621 tors. eta vs tors. theta energy: -0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1144.293267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.293267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.293267 (E_RNA) where: Base-Base interactions energy: -769.058 where: short stacking energy: -372.107 Base-Backbone interact. energy: -0.869 local terms energy: -374.365566 where: bonds (distance) C4'-P energy: -62.962 bonds (distance) P-C4' energy: -66.545 flat angles C4'-P-C4' energy: -79.043 flat angles P-C4'-P energy: -51.968 tors. eta vs tors. theta energy: -113.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1091.133643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.133643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.133643 (E_RNA) where: Base-Base interactions energy: -742.662 where: short stacking energy: -327.922 Base-Backbone interact. energy: -0.392 local terms energy: -348.080139 where: bonds (distance) C4'-P energy: -64.320 bonds (distance) P-C4' energy: -60.842 flat angles C4'-P-C4' energy: -75.952 flat angles P-C4'-P energy: -55.319 tors. eta vs tors. theta energy: -91.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1029.936929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.936929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.936929 (E_RNA) where: Base-Base interactions energy: -700.649 where: short stacking energy: -337.396 Base-Backbone interact. energy: -0.596 local terms energy: -328.691607 where: bonds (distance) C4'-P energy: -51.252 bonds (distance) P-C4' energy: -70.510 flat angles C4'-P-C4' energy: -72.773 flat angles P-C4'-P energy: -49.895 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: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -885.985365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.985365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.985365 (E_RNA) where: Base-Base interactions energy: -609.367 where: short stacking energy: -268.404 Base-Backbone interact. energy: 2.904 local terms energy: -279.522885 where: bonds (distance) C4'-P energy: -57.548 bonds (distance) P-C4' energy: -60.950 flat angles C4'-P-C4' energy: -58.047 flat angles P-C4'-P energy: -29.757 tors. eta vs tors. theta energy: -73.221 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: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -917.188874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.188874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.188874 (E_RNA) where: Base-Base interactions energy: -582.084 where: short stacking energy: -272.420 Base-Backbone interact. energy: -1.710 local terms energy: -333.395290 where: bonds (distance) C4'-P energy: -65.636 bonds (distance) P-C4' energy: -71.981 flat angles C4'-P-C4' energy: -70.560 flat angles P-C4'-P energy: -42.899 tors. eta vs tors. theta energy: -82.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -766.607161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.607161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.607161 (E_RNA) where: Base-Base interactions energy: -483.267 where: short stacking energy: -216.350 Base-Backbone interact. energy: -0.231 local terms energy: -283.109767 where: bonds (distance) C4'-P energy: -52.911 bonds (distance) P-C4' energy: -73.017 flat angles C4'-P-C4' energy: -61.027 flat angles P-C4'-P energy: -46.237 tors. eta vs tors. theta energy: -49.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -570.017896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.017896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.017896 (E_RNA) where: Base-Base interactions energy: -335.141 where: short stacking energy: -163.902 Base-Backbone interact. energy: 0.367 local terms energy: -235.243888 where: bonds (distance) C4'-P energy: -60.295 bonds (distance) P-C4' energy: -55.834 flat angles C4'-P-C4' energy: -56.612 flat angles P-C4'-P energy: -36.947 tors. eta vs tors. theta energy: -25.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -537.998751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.998751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.998751 (E_RNA) where: Base-Base interactions energy: -307.190 where: short stacking energy: -156.357 Base-Backbone interact. energy: -1.587 local terms energy: -229.221638 where: bonds (distance) C4'-P energy: -57.599 bonds (distance) P-C4' energy: -57.427 flat angles C4'-P-C4' energy: -49.256 flat angles P-C4'-P energy: -34.315 tors. eta vs tors. theta energy: -30.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -323.247083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.247083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.247083 (E_RNA) where: Base-Base interactions energy: -120.729 where: short stacking energy: -84.962 Base-Backbone interact. energy: -0.990 local terms energy: -201.527839 where: bonds (distance) C4'-P energy: -56.034 bonds (distance) P-C4' energy: -65.143 flat angles C4'-P-C4' energy: -51.361 flat angles P-C4'-P energy: -31.816 tors. eta vs tors. theta energy: 2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -329.632405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.632405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.632405 (E_RNA) where: Base-Base interactions energy: -126.812 where: short stacking energy: -97.925 Base-Backbone interact. energy: -1.320 local terms energy: -201.500539 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -59.904 flat angles C4'-P-C4' energy: -53.460 flat angles P-C4'-P energy: -23.690 tors. eta vs tors. theta energy: -3.883 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: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1156.352205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.352205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.352205 (E_RNA) where: Base-Base interactions energy: -776.066 where: short stacking energy: -357.384 Base-Backbone interact. energy: 1.341 local terms energy: -381.627782 where: bonds (distance) C4'-P energy: -66.188 bonds (distance) P-C4' energy: -74.599 flat angles C4'-P-C4' energy: -73.300 flat angles P-C4'-P energy: -61.875 tors. eta vs tors. theta energy: -105.667 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: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1112.854746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.854746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.854746 (E_RNA) where: Base-Base interactions energy: -751.245 where: short stacking energy: -352.634 Base-Backbone interact. energy: -0.352 local terms energy: -361.258489 where: bonds (distance) C4'-P energy: -61.699 bonds (distance) P-C4' energy: -72.399 flat angles C4'-P-C4' energy: -76.438 flat angles P-C4'-P energy: -52.165 tors. eta vs tors. theta energy: -98.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1033.494717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.494717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.494717 (E_RNA) where: Base-Base interactions energy: -708.594 where: short stacking energy: -326.701 Base-Backbone interact. energy: 0.503 local terms energy: -325.404591 where: bonds (distance) C4'-P energy: -55.917 bonds (distance) P-C4' energy: -51.551 flat angles C4'-P-C4' energy: -74.853 flat angles P-C4'-P energy: -48.804 tors. eta vs tors. theta energy: -94.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -910.902606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.902606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.902606 (E_RNA) where: Base-Base interactions energy: -613.340 where: short stacking energy: -262.758 Base-Backbone interact. energy: 0.739 local terms energy: -298.301083 where: bonds (distance) C4'-P energy: -47.218 bonds (distance) P-C4' energy: -74.128 flat angles C4'-P-C4' energy: -69.327 flat angles P-C4'-P energy: -44.113 tors. eta vs tors. theta energy: -63.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -938.455646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.455646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.455646 (E_RNA) where: Base-Base interactions energy: -633.904 where: short stacking energy: -296.826 Base-Backbone interact. energy: -0.483 local terms energy: -304.068767 where: bonds (distance) C4'-P energy: -58.849 bonds (distance) P-C4' energy: -59.826 flat angles C4'-P-C4' energy: -64.943 flat angles P-C4'-P energy: -43.437 tors. eta vs tors. theta energy: -77.014 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: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -770.307242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.307242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.307242 (E_RNA) where: Base-Base interactions energy: -472.192 where: short stacking energy: -220.675 Base-Backbone interact. energy: -0.978 local terms energy: -297.137702 where: bonds (distance) C4'-P energy: -58.550 bonds (distance) P-C4' energy: -77.888 flat angles C4'-P-C4' energy: -65.940 flat angles P-C4'-P energy: -48.023 tors. eta vs tors. theta energy: -46.736 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: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -577.579096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.579096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.579096 (E_RNA) where: Base-Base interactions energy: -343.371 where: short stacking energy: -190.832 Base-Backbone interact. energy: 0.549 local terms energy: -234.756290 where: bonds (distance) C4'-P energy: -46.575 bonds (distance) P-C4' energy: -60.655 flat angles C4'-P-C4' energy: -59.714 flat angles P-C4'-P energy: -33.110 tors. eta vs tors. theta energy: -34.702 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: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -539.954125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.954125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.954125 (E_RNA) where: Base-Base interactions energy: -335.910 where: short stacking energy: -158.803 Base-Backbone interact. energy: -0.052 local terms energy: -203.992613 where: bonds (distance) C4'-P energy: -41.673 bonds (distance) P-C4' energy: -54.768 flat angles C4'-P-C4' energy: -56.539 flat angles P-C4'-P energy: -30.112 tors. eta vs tors. theta energy: -20.901 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: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -297.942832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.942832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.942832 (E_RNA) where: Base-Base interactions energy: -100.026 where: short stacking energy: -90.816 Base-Backbone interact. energy: -0.508 local terms energy: -197.408644 where: bonds (distance) C4'-P energy: -65.633 bonds (distance) P-C4' energy: -50.374 flat angles C4'-P-C4' energy: -52.578 flat angles P-C4'-P energy: -26.024 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -264.738577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.738577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.738577 (E_RNA) where: Base-Base interactions energy: -91.957 where: short stacking energy: -82.775 Base-Backbone interact. energy: -1.189 local terms energy: -171.592777 where: bonds (distance) C4'-P energy: -62.066 bonds (distance) P-C4' energy: -57.358 flat angles C4'-P-C4' energy: -51.719 flat angles P-C4'-P energy: -22.864 tors. eta vs tors. theta energy: 22.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1170.593292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.593292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.593292 (E_RNA) where: Base-Base interactions energy: -792.221 where: short stacking energy: -373.015 Base-Backbone interact. energy: -0.324 local terms energy: -378.048259 where: bonds (distance) C4'-P energy: -64.075 bonds (distance) P-C4' energy: -70.520 flat angles C4'-P-C4' energy: -81.605 flat angles P-C4'-P energy: -51.240 tors. eta vs tors. theta energy: -110.608 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: 1 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1080.767562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.767562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.767562 (E_RNA) where: Base-Base interactions energy: -728.141 where: short stacking energy: -352.667 Base-Backbone interact. energy: 0.216 local terms energy: -352.843176 where: bonds (distance) C4'-P energy: -66.176 bonds (distance) P-C4' energy: -63.829 flat angles C4'-P-C4' energy: -77.468 flat angles P-C4'-P energy: -49.793 tors. eta vs tors. theta energy: -95.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1037.634441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.634441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.634441 (E_RNA) where: Base-Base interactions energy: -699.423 where: short stacking energy: -320.779 Base-Backbone interact. energy: -0.227 local terms energy: -337.983549 where: bonds (distance) C4'-P energy: -61.018 bonds (distance) P-C4' energy: -57.563 flat angles C4'-P-C4' energy: -67.554 flat angles P-C4'-P energy: -53.037 tors. eta vs tors. theta energy: -98.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -925.500905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.500905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.500905 (E_RNA) where: Base-Base interactions energy: -617.325 where: short stacking energy: -261.887 Base-Backbone interact. energy: 0.824 local terms energy: -308.999770 where: bonds (distance) C4'-P energy: -64.245 bonds (distance) P-C4' energy: -61.826 flat angles C4'-P-C4' energy: -76.857 flat angles P-C4'-P energy: -44.341 tors. eta vs tors. theta energy: -61.730 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: 103 Temperature: 1.100000 Total energy: -979.605972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.605972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.605972 (E_RNA) where: Base-Base interactions energy: -633.118 where: short stacking energy: -273.461 Base-Backbone interact. energy: -1.409 local terms energy: -345.079754 where: bonds (distance) C4'-P energy: -59.973 bonds (distance) P-C4' energy: -63.776 flat angles C4'-P-C4' energy: -76.830 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: -91.343 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: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -735.491449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.491449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.491449 (E_RNA) where: Base-Base interactions energy: -456.467 where: short stacking energy: -213.785 Base-Backbone interact. energy: 0.275 local terms energy: -279.300054 where: bonds (distance) C4'-P energy: -64.895 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -59.699 flat angles P-C4'-P energy: -43.528 tors. eta vs tors. theta energy: -45.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -541.636053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.636053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.636053 (E_RNA) where: Base-Base interactions energy: -280.095 where: short stacking energy: -174.737 Base-Backbone interact. energy: -1.037 local terms energy: -260.504075 where: bonds (distance) C4'-P energy: -62.907 bonds (distance) P-C4' energy: -60.336 flat angles C4'-P-C4' energy: -63.261 flat angles P-C4'-P energy: -38.408 tors. eta vs tors. theta energy: -35.592 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: 8, replica: 4 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -554.387402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.387402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.387402 (E_RNA) where: Base-Base interactions energy: -317.892 where: short stacking energy: -163.160 Base-Backbone interact. energy: -1.989 local terms energy: -234.506811 where: bonds (distance) C4'-P energy: -51.499 bonds (distance) P-C4' energy: -57.200 flat angles C4'-P-C4' energy: -67.892 flat angles P-C4'-P energy: -38.883 tors. eta vs tors. theta energy: -19.033 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: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -314.927320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.927320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.927320 (E_RNA) where: Base-Base interactions energy: -120.619 where: short stacking energy: -97.555 Base-Backbone interact. energy: 2.011 local terms energy: -196.319576 where: bonds (distance) C4'-P energy: -61.115 bonds (distance) P-C4' energy: -55.080 flat angles C4'-P-C4' energy: -50.156 flat angles P-C4'-P energy: -35.420 tors. eta vs tors. theta energy: 5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -295.703366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.703366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.703366 (E_RNA) where: Base-Base interactions energy: -98.143 where: short stacking energy: -79.185 Base-Backbone interact. energy: 0.458 local terms energy: -198.018242 where: bonds (distance) C4'-P energy: -49.297 bonds (distance) P-C4' energy: -58.582 flat angles C4'-P-C4' energy: -65.349 flat angles P-C4'-P energy: -28.571 tors. eta vs tors. theta energy: 3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1147.874190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.874190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.874190 (E_RNA) where: Base-Base interactions energy: -777.337 where: short stacking energy: -353.956 Base-Backbone interact. energy: -4.246 local terms energy: -366.290991 where: bonds (distance) C4'-P energy: -69.016 bonds (distance) P-C4' energy: -66.339 flat angles C4'-P-C4' energy: -78.817 flat angles P-C4'-P energy: -51.260 tors. eta vs tors. theta energy: -100.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1096.421581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.421581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.421581 (E_RNA) where: Base-Base interactions energy: -731.698 where: short stacking energy: -345.431 Base-Backbone interact. energy: -1.347 local terms energy: -363.376804 where: bonds (distance) C4'-P energy: -75.166 bonds (distance) P-C4' energy: -65.023 flat angles C4'-P-C4' energy: -77.111 flat angles P-C4'-P energy: -46.933 tors. eta vs tors. theta energy: -99.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1058.061535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.061535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.061535 (E_RNA) where: Base-Base interactions energy: -702.539 where: short stacking energy: -315.577 Base-Backbone interact. energy: 0.323 local terms energy: -355.846007 where: bonds (distance) C4'-P energy: -64.396 bonds (distance) P-C4' energy: -70.066 flat angles C4'-P-C4' energy: -66.815 flat angles P-C4'-P energy: -56.151 tors. eta vs tors. theta energy: -98.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -932.011761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.011761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.011761 (E_RNA) where: Base-Base interactions energy: -635.075 where: short stacking energy: -252.763 Base-Backbone interact. energy: -3.226 local terms energy: -293.711340 where: bonds (distance) C4'-P energy: -62.464 bonds (distance) P-C4' energy: -68.523 flat angles C4'-P-C4' energy: -64.957 flat angles P-C4'-P energy: -31.061 tors. eta vs tors. theta energy: -66.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -951.578062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.578062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.578062 (E_RNA) where: Base-Base interactions energy: -625.698 where: short stacking energy: -303.757 Base-Backbone interact. energy: -0.359 local terms energy: -325.521220 where: bonds (distance) C4'-P energy: -65.382 bonds (distance) P-C4' energy: -58.335 flat angles C4'-P-C4' energy: -69.401 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: -81.888 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: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -740.582031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.582031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.582031 (E_RNA) where: Base-Base interactions energy: -457.732 where: short stacking energy: -201.560 Base-Backbone interact. energy: 0.204 local terms energy: -283.054910 where: bonds (distance) C4'-P energy: -53.721 bonds (distance) P-C4' energy: -77.920 flat angles C4'-P-C4' energy: -59.465 flat angles P-C4'-P energy: -51.622 tors. eta vs tors. theta energy: -40.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -570.905021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.905021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.905021 (E_RNA) where: Base-Base interactions energy: -312.875 where: short stacking energy: -175.572 Base-Backbone interact. energy: -2.345 local terms energy: -255.684551 where: bonds (distance) C4'-P energy: -47.745 bonds (distance) P-C4' energy: -66.956 flat angles C4'-P-C4' energy: -64.368 flat angles P-C4'-P energy: -44.682 tors. eta vs tors. theta energy: -31.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -498.110900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.110900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.110900 (E_RNA) where: Base-Base interactions energy: -269.787 where: short stacking energy: -152.534 Base-Backbone interact. energy: -1.076 local terms energy: -227.247554 where: bonds (distance) C4'-P energy: -59.795 bonds (distance) P-C4' energy: -58.080 flat angles C4'-P-C4' energy: -64.778 flat angles P-C4'-P energy: -28.998 tors. eta vs tors. theta energy: -15.597 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: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -341.822653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.822653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.822653 (E_RNA) where: Base-Base interactions energy: -137.898 where: short stacking energy: -99.650 Base-Backbone interact. energy: -1.301 local terms energy: -202.623490 where: bonds (distance) C4'-P energy: -50.838 bonds (distance) P-C4' energy: -70.834 flat angles C4'-P-C4' energy: -54.222 flat angles P-C4'-P energy: -40.534 tors. eta vs tors. theta energy: 13.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -292.296830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.296830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.296830 (E_RNA) where: Base-Base interactions energy: -107.938 where: short stacking energy: -83.766 Base-Backbone interact. energy: -0.114 local terms energy: -184.245513 where: bonds (distance) C4'-P energy: -55.398 bonds (distance) P-C4' energy: -62.580 flat angles C4'-P-C4' energy: -46.920 flat angles P-C4'-P energy: -28.445 tors. eta vs tors. theta energy: 9.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1152.712494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.712494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.712494 (E_RNA) where: Base-Base interactions energy: -793.993 where: short stacking energy: -371.720 Base-Backbone interact. energy: -0.377 local terms energy: -358.342874 where: bonds (distance) C4'-P energy: -56.351 bonds (distance) P-C4' energy: -65.577 flat angles C4'-P-C4' energy: -78.676 flat angles P-C4'-P energy: -53.335 tors. eta vs tors. theta energy: -104.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1092.446705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.446705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.446705 (E_RNA) where: Base-Base interactions energy: -736.784 where: short stacking energy: -346.606 Base-Backbone interact. energy: -0.878 local terms energy: -354.785005 where: bonds (distance) C4'-P energy: -65.335 bonds (distance) P-C4' energy: -70.446 flat angles C4'-P-C4' energy: -75.382 flat angles P-C4'-P energy: -43.289 tors. eta vs tors. theta energy: -100.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1028.702313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.702313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.702313 (E_RNA) where: Base-Base interactions energy: -705.221 where: short stacking energy: -329.342 Base-Backbone interact. energy: -0.789 local terms energy: -322.691996 where: bonds (distance) C4'-P energy: -62.524 bonds (distance) P-C4' energy: -62.163 flat angles C4'-P-C4' energy: -65.221 flat angles P-C4'-P energy: -43.095 tors. eta vs tors. theta energy: -89.689 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: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -968.585679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.585679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.585679 (E_RNA) where: Base-Base interactions energy: -633.174 where: short stacking energy: -302.494 Base-Backbone interact. energy: -1.695 local terms energy: -333.716679 where: bonds (distance) C4'-P energy: -66.037 bonds (distance) P-C4' energy: -61.269 flat angles C4'-P-C4' energy: -70.827 flat angles P-C4'-P energy: -49.931 tors. eta vs tors. theta energy: -85.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -909.408938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.408938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.408938 (E_RNA) where: Base-Base interactions energy: -584.484 where: short stacking energy: -243.716 Base-Backbone interact. energy: -0.806 local terms energy: -324.118682 where: bonds (distance) C4'-P energy: -71.639 bonds (distance) P-C4' energy: -72.109 flat angles C4'-P-C4' energy: -67.776 flat angles P-C4'-P energy: -52.162 tors. eta vs tors. theta energy: -60.433 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: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -747.512485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.512485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.512485 (E_RNA) where: Base-Base interactions energy: -455.244 where: short stacking energy: -218.453 Base-Backbone interact. energy: 0.064 local terms energy: -292.332735 where: bonds (distance) C4'-P energy: -68.175 bonds (distance) P-C4' energy: -72.494 flat angles C4'-P-C4' energy: -69.576 flat angles P-C4'-P energy: -37.992 tors. eta vs tors. theta energy: -44.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -550.629449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.629449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.629449 (E_RNA) where: Base-Base interactions energy: -300.345 where: short stacking energy: -174.175 Base-Backbone interact. energy: -0.925 local terms energy: -249.359676 where: bonds (distance) C4'-P energy: -51.306 bonds (distance) P-C4' energy: -69.598 flat angles C4'-P-C4' energy: -60.614 flat angles P-C4'-P energy: -41.190 tors. eta vs tors. theta energy: -26.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -525.698936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.698936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.698936 (E_RNA) where: Base-Base interactions energy: -286.735 where: short stacking energy: -154.191 Base-Backbone interact. energy: 0.113 local terms energy: -239.076491 where: bonds (distance) C4'-P energy: -53.368 bonds (distance) P-C4' energy: -54.907 flat angles C4'-P-C4' energy: -59.560 flat angles P-C4'-P energy: -47.756 tors. eta vs tors. theta energy: -23.485 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: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -288.010969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.010969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.010969 (E_RNA) where: Base-Base interactions energy: -93.798 where: short stacking energy: -86.496 Base-Backbone interact. energy: -0.650 local terms energy: -193.563770 where: bonds (distance) C4'-P energy: -54.572 bonds (distance) P-C4' energy: -58.478 flat angles C4'-P-C4' energy: -58.105 flat angles P-C4'-P energy: -33.356 tors. eta vs tors. theta energy: 10.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -292.857296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.857296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.857296 (E_RNA) where: Base-Base interactions energy: -104.304 where: short stacking energy: -83.294 Base-Backbone interact. energy: -0.408 local terms energy: -188.145178 where: bonds (distance) C4'-P energy: -58.648 bonds (distance) P-C4' energy: -58.005 flat angles C4'-P-C4' energy: -49.453 flat angles P-C4'-P energy: -26.241 tors. eta vs tors. theta energy: 4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1149.802579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.802579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.802579 (E_RNA) where: Base-Base interactions energy: -771.794 where: short stacking energy: -354.859 Base-Backbone interact. energy: -0.335 local terms energy: -377.673786 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -75.004 flat angles C4'-P-C4' energy: -76.742 flat angles P-C4'-P energy: -51.065 tors. eta vs tors. theta energy: -100.625 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: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1082.075453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.075453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.075453 (E_RNA) where: Base-Base interactions energy: -716.682 where: short stacking energy: -348.661 Base-Backbone interact. energy: -0.927 local terms energy: -364.465980 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -64.790 flat angles C4'-P-C4' energy: -77.636 flat angles P-C4'-P energy: -50.554 tors. eta vs tors. theta energy: -100.759 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: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -993.584212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.584212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.584212 (E_RNA) where: Base-Base interactions energy: -647.583 where: short stacking energy: -306.404 Base-Backbone interact. energy: -0.162 local terms energy: -345.839327 where: bonds (distance) C4'-P energy: -65.893 bonds (distance) P-C4' energy: -60.441 flat angles C4'-P-C4' energy: -81.591 flat angles P-C4'-P energy: -50.132 tors. eta vs tors. theta energy: -87.781 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: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -998.004156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.004156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.004156 (E_RNA) where: Base-Base interactions energy: -671.201 where: short stacking energy: -302.791 Base-Backbone interact. energy: -0.349 local terms energy: -326.454414 where: bonds (distance) C4'-P energy: -44.821 bonds (distance) P-C4' energy: -67.605 flat angles C4'-P-C4' energy: -77.122 flat angles P-C4'-P energy: -49.840 tors. eta vs tors. theta energy: -87.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -916.415801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.415801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.415801 (E_RNA) where: Base-Base interactions energy: -618.168 where: short stacking energy: -269.425 Base-Backbone interact. energy: -0.283 local terms energy: -297.964576 where: bonds (distance) C4'-P energy: -66.519 bonds (distance) P-C4' energy: -57.121 flat angles C4'-P-C4' energy: -65.470 flat angles P-C4'-P energy: -42.926 tors. eta vs tors. theta energy: -65.928 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: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -718.246482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.246482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.246482 (E_RNA) where: Base-Base interactions energy: -445.253 where: short stacking energy: -209.324 Base-Backbone interact. energy: -1.277 local terms energy: -271.716616 where: bonds (distance) C4'-P energy: -58.058 bonds (distance) P-C4' energy: -64.186 flat angles C4'-P-C4' energy: -65.537 flat angles P-C4'-P energy: -36.703 tors. eta vs tors. theta energy: -47.233 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: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -562.220612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.220612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.220612 (E_RNA) where: Base-Base interactions energy: -285.916 where: short stacking energy: -166.439 Base-Backbone interact. energy: 3.294 local terms energy: -279.599058 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -60.914 flat angles C4'-P-C4' energy: -70.978 flat angles P-C4'-P energy: -39.234 tors. eta vs tors. theta energy: -38.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -592.645076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.645076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.645076 (E_RNA) where: Base-Base interactions energy: -355.450 where: short stacking energy: -164.991 Base-Backbone interact. energy: -1.075 local terms energy: -236.120641 where: bonds (distance) C4'-P energy: -53.838 bonds (distance) P-C4' energy: -63.859 flat angles C4'-P-C4' energy: -57.236 flat angles P-C4'-P energy: -29.113 tors. eta vs tors. theta energy: -32.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -310.226023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.226023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.226023 (E_RNA) where: Base-Base interactions energy: -100.981 where: short stacking energy: -101.423 Base-Backbone interact. energy: -0.124 local terms energy: -209.121525 where: bonds (distance) C4'-P energy: -56.617 bonds (distance) P-C4' energy: -71.317 flat angles C4'-P-C4' energy: -53.478 flat angles P-C4'-P energy: -23.515 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -302.716946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.716946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.716946 (E_RNA) where: Base-Base interactions energy: -110.271 where: short stacking energy: -96.566 Base-Backbone interact. energy: 2.188 local terms energy: -194.633895 where: bonds (distance) C4'-P energy: -54.366 bonds (distance) P-C4' energy: -58.738 flat angles C4'-P-C4' energy: -40.564 flat angles P-C4'-P energy: -34.965 tors. eta vs tors. theta energy: -6.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1161.240170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.240170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.240170 (E_RNA) where: Base-Base interactions energy: -783.158 where: short stacking energy: -361.404 Base-Backbone interact. energy: -2.354 local terms energy: -375.728824 where: bonds (distance) C4'-P energy: -59.804 bonds (distance) P-C4' energy: -71.081 flat angles C4'-P-C4' energy: -85.507 flat angles P-C4'-P energy: -58.322 tors. eta vs tors. theta energy: -101.014 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: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1083.648970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.648970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.648970 (E_RNA) where: Base-Base interactions energy: -726.878 where: short stacking energy: -340.696 Base-Backbone interact. energy: -0.674 local terms energy: -356.096794 where: bonds (distance) C4'-P energy: -67.284 bonds (distance) P-C4' energy: -77.755 flat angles C4'-P-C4' energy: -68.250 flat angles P-C4'-P energy: -43.539 tors. eta vs tors. theta energy: -99.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -993.944284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.944284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.944284 (E_RNA) where: Base-Base interactions energy: -664.106 where: short stacking energy: -316.697 Base-Backbone interact. energy: -1.424 local terms energy: -328.414059 where: bonds (distance) C4'-P energy: -56.254 bonds (distance) P-C4' energy: -63.867 flat angles C4'-P-C4' energy: -73.687 flat angles P-C4'-P energy: -49.870 tors. eta vs tors. theta energy: -84.736 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: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -976.827056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.827056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.827056 (E_RNA) where: Base-Base interactions energy: -632.864 where: short stacking energy: -286.481 Base-Backbone interact. energy: -1.109 local terms energy: -342.854828 where: bonds (distance) C4'-P energy: -62.274 bonds (distance) P-C4' energy: -74.017 flat angles C4'-P-C4' energy: -76.796 flat angles P-C4'-P energy: -45.831 tors. eta vs tors. theta energy: -83.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -883.050447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.050447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.050447 (E_RNA) where: Base-Base interactions energy: -572.983 where: short stacking energy: -245.797 Base-Backbone interact. energy: -0.686 local terms energy: -309.380997 where: bonds (distance) C4'-P energy: -61.517 bonds (distance) P-C4' energy: -77.014 flat angles C4'-P-C4' energy: -73.693 flat angles P-C4'-P energy: -38.392 tors. eta vs tors. theta energy: -58.765 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: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -736.284234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.284234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.284234 (E_RNA) where: Base-Base interactions energy: -464.601 where: short stacking energy: -205.960 Base-Backbone interact. energy: -1.250 local terms energy: -270.432782 where: bonds (distance) C4'-P energy: -63.267 bonds (distance) P-C4' energy: -62.978 flat angles C4'-P-C4' energy: -53.912 flat angles P-C4'-P energy: -46.512 tors. eta vs tors. theta energy: -43.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -600.804393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.804393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.804393 (E_RNA) where: Base-Base interactions energy: -320.170 where: short stacking energy: -176.363 Base-Backbone interact. energy: -0.368 local terms energy: -280.265688 where: bonds (distance) C4'-P energy: -59.092 bonds (distance) P-C4' energy: -64.554 flat angles C4'-P-C4' energy: -64.044 flat angles P-C4'-P energy: -46.688 tors. eta vs tors. theta energy: -45.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -503.897294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.897294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.897294 (E_RNA) where: Base-Base interactions energy: -259.421 where: short stacking energy: -148.042 Base-Backbone interact. energy: -0.711 local terms energy: -243.765948 where: bonds (distance) C4'-P energy: -59.686 bonds (distance) P-C4' energy: -64.800 flat angles C4'-P-C4' energy: -58.052 flat angles P-C4'-P energy: -40.506 tors. eta vs tors. theta energy: -20.722 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: 107 Temperature: 1.300000 Total energy: -304.529212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.529212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.529212 (E_RNA) where: Base-Base interactions energy: -102.868 where: short stacking energy: -82.464 Base-Backbone interact. energy: -0.499 local terms energy: -201.162319 where: bonds (distance) C4'-P energy: -45.566 bonds (distance) P-C4' energy: -70.931 flat angles C4'-P-C4' energy: -55.585 flat angles P-C4'-P energy: -36.856 tors. eta vs tors. theta energy: 7.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -292.914538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.914538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.914538 (E_RNA) where: Base-Base interactions energy: -94.657 where: short stacking energy: -83.211 Base-Backbone interact. energy: 0.387 local terms energy: -198.645176 where: bonds (distance) C4'-P energy: -62.775 bonds (distance) P-C4' energy: -48.544 flat angles C4'-P-C4' energy: -55.678 flat angles P-C4'-P energy: -40.213 tors. eta vs tors. theta energy: 8.565 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: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1164.287707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.287707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.287707 (E_RNA) where: Base-Base interactions energy: -796.329 where: short stacking energy: -356.777 Base-Backbone interact. energy: -0.640 local terms energy: -367.319074 where: bonds (distance) C4'-P energy: -57.270 bonds (distance) P-C4' energy: -73.714 flat angles C4'-P-C4' energy: -82.992 flat angles P-C4'-P energy: -53.609 tors. eta vs tors. theta energy: -99.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1105.604875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.604875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.604875 (E_RNA) where: Base-Base interactions energy: -726.640 where: short stacking energy: -349.727 Base-Backbone interact. energy: -0.794 local terms energy: -378.170551 where: bonds (distance) C4'-P energy: -77.726 bonds (distance) P-C4' energy: -69.115 flat angles C4'-P-C4' energy: -72.718 flat angles P-C4'-P energy: -58.690 tors. eta vs tors. theta energy: -99.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1003.079909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.079909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.079909 (E_RNA) where: Base-Base interactions energy: -661.818 where: short stacking energy: -308.185 Base-Backbone interact. energy: 0.752 local terms energy: -342.014307 where: bonds (distance) C4'-P energy: -60.560 bonds (distance) P-C4' energy: -73.719 flat angles C4'-P-C4' energy: -73.012 flat angles P-C4'-P energy: -49.359 tors. eta vs tors. theta energy: -85.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -961.298287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.298287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.298287 (E_RNA) where: Base-Base interactions energy: -649.855 where: short stacking energy: -274.366 Base-Backbone interact. energy: -2.148 local terms energy: -309.295321 where: bonds (distance) C4'-P energy: -61.185 bonds (distance) P-C4' energy: -52.297 flat angles C4'-P-C4' energy: -69.372 flat angles P-C4'-P energy: -49.256 tors. eta vs tors. theta energy: -77.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -888.337764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.337764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.337764 (E_RNA) where: Base-Base interactions energy: -584.108 where: short stacking energy: -262.540 Base-Backbone interact. energy: 0.746 local terms energy: -304.975464 where: bonds (distance) C4'-P energy: -63.212 bonds (distance) P-C4' energy: -59.181 flat angles C4'-P-C4' energy: -66.942 flat angles P-C4'-P energy: -47.047 tors. eta vs tors. theta energy: -68.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -780.973715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.973715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.973715 (E_RNA) where: Base-Base interactions energy: -479.241 where: short stacking energy: -237.016 Base-Backbone interact. energy: 3.106 local terms energy: -304.838194 where: bonds (distance) C4'-P energy: -51.748 bonds (distance) P-C4' energy: -73.815 flat angles C4'-P-C4' energy: -73.520 flat angles P-C4'-P energy: -45.590 tors. eta vs tors. theta energy: -60.166 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: 7, replica: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -578.549776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.549776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.549776 (E_RNA) where: Base-Base interactions energy: -328.379 where: short stacking energy: -175.330 Base-Backbone interact. energy: 3.090 local terms energy: -253.261007 where: bonds (distance) C4'-P energy: -54.173 bonds (distance) P-C4' energy: -62.126 flat angles C4'-P-C4' energy: -58.973 flat angles P-C4'-P energy: -41.841 tors. eta vs tors. theta energy: -36.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -491.196364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.196364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.196364 (E_RNA) where: Base-Base interactions energy: -275.115 where: short stacking energy: -143.816 Base-Backbone interact. energy: -0.279 local terms energy: -215.802393 where: bonds (distance) C4'-P energy: -48.002 bonds (distance) P-C4' energy: -66.218 flat angles C4'-P-C4' energy: -52.472 flat angles P-C4'-P energy: -38.295 tors. eta vs tors. theta energy: -10.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -303.578063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.578063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.578063 (E_RNA) where: Base-Base interactions energy: -112.750 where: short stacking energy: -87.020 Base-Backbone interact. energy: 0.826 local terms energy: -191.653691 where: bonds (distance) C4'-P energy: -43.614 bonds (distance) P-C4' energy: -58.596 flat angles C4'-P-C4' energy: -49.745 flat angles P-C4'-P energy: -52.800 tors. eta vs tors. theta energy: 13.101 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: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -326.226420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.226420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.226420 (E_RNA) where: Base-Base interactions energy: -166.603 where: short stacking energy: -107.817 Base-Backbone interact. energy: 1.936 local terms energy: -161.558738 where: bonds (distance) C4'-P energy: -52.205 bonds (distance) P-C4' energy: -48.769 flat angles C4'-P-C4' energy: -30.438 flat angles P-C4'-P energy: -39.180 tors. eta vs tors. theta energy: 9.033 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: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1127.209120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.209120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.209120 (E_RNA) where: Base-Base interactions energy: -751.670 where: short stacking energy: -340.201 Base-Backbone interact. energy: 0.451 local terms energy: -375.990639 where: bonds (distance) C4'-P energy: -65.473 bonds (distance) P-C4' energy: -66.670 flat angles C4'-P-C4' energy: -80.825 flat angles P-C4'-P energy: -61.454 tors. eta vs tors. theta energy: -101.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1105.221532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.221532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.221532 (E_RNA) where: Base-Base interactions energy: -735.905 where: short stacking energy: -345.848 Base-Backbone interact. energy: -0.897 local terms energy: -368.419741 where: bonds (distance) C4'-P energy: -66.609 bonds (distance) P-C4' energy: -72.890 flat angles C4'-P-C4' energy: -74.617 flat angles P-C4'-P energy: -55.463 tors. eta vs tors. theta energy: -98.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -980.546367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.546367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.546367 (E_RNA) where: Base-Base interactions energy: -631.198 where: short stacking energy: -296.050 Base-Backbone interact. energy: -1.118 local terms energy: -348.230294 where: bonds (distance) C4'-P energy: -69.183 bonds (distance) P-C4' energy: -71.589 flat angles C4'-P-C4' energy: -74.526 flat angles P-C4'-P energy: -54.509 tors. eta vs tors. theta energy: -78.424 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: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -937.390673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.390673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.390673 (E_RNA) where: Base-Base interactions energy: -611.771 where: short stacking energy: -277.228 Base-Backbone interact. energy: -1.010 local terms energy: -324.609242 where: bonds (distance) C4'-P energy: -69.829 bonds (distance) P-C4' energy: -58.327 flat angles C4'-P-C4' energy: -68.078 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: -82.303 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: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -901.062428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.062428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.062428 (E_RNA) where: Base-Base interactions energy: -576.128 where: short stacking energy: -252.218 Base-Backbone interact. energy: -0.852 local terms energy: -324.082192 where: bonds (distance) C4'-P energy: -66.891 bonds (distance) P-C4' energy: -67.914 flat angles C4'-P-C4' energy: -69.440 flat angles P-C4'-P energy: -57.587 tors. eta vs tors. theta energy: -62.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -746.385386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.385386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.385386 (E_RNA) where: Base-Base interactions energy: -474.868 where: short stacking energy: -225.509 Base-Backbone interact. energy: -0.832 local terms energy: -270.685768 where: bonds (distance) C4'-P energy: -65.376 bonds (distance) P-C4' energy: -66.732 flat angles C4'-P-C4' energy: -56.171 flat angles P-C4'-P energy: -41.029 tors. eta vs tors. theta energy: -41.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -576.532262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.532262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.532262 (E_RNA) where: Base-Base interactions energy: -314.631 where: short stacking energy: -177.862 Base-Backbone interact. energy: 2.470 local terms energy: -264.371237 where: bonds (distance) C4'-P energy: -64.898 bonds (distance) P-C4' energy: -57.456 flat angles C4'-P-C4' energy: -65.695 flat angles P-C4'-P energy: -36.143 tors. eta vs tors. theta energy: -40.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -500.070607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.070607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.070607 (E_RNA) where: Base-Base interactions energy: -275.569 where: short stacking energy: -149.124 Base-Backbone interact. energy: 4.282 local terms energy: -228.783555 where: bonds (distance) C4'-P energy: -48.004 bonds (distance) P-C4' energy: -61.054 flat angles C4'-P-C4' energy: -70.429 flat angles P-C4'-P energy: -27.450 tors. eta vs tors. theta energy: -21.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -379.682773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.682773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.682773 (E_RNA) where: Base-Base interactions energy: -164.754 where: short stacking energy: -123.269 Base-Backbone interact. energy: -0.939 local terms energy: -213.989493 where: bonds (distance) C4'-P energy: -45.172 bonds (distance) P-C4' energy: -63.803 flat angles C4'-P-C4' energy: -57.895 flat angles P-C4'-P energy: -41.720 tors. eta vs tors. theta energy: -5.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -285.265237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.265237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.265237 (E_RNA) where: Base-Base interactions energy: -95.006 where: short stacking energy: -72.731 Base-Backbone interact. energy: 1.245 local terms energy: -191.504614 where: bonds (distance) C4'-P energy: -65.865 bonds (distance) P-C4' energy: -48.931 flat angles C4'-P-C4' energy: -51.995 flat angles P-C4'-P energy: -33.382 tors. eta vs tors. theta energy: 8.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1141.433493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.433493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.433493 (E_RNA) where: Base-Base interactions energy: -779.551 where: short stacking energy: -362.449 Base-Backbone interact. energy: -0.047 local terms energy: -361.835454 where: bonds (distance) C4'-P energy: -56.937 bonds (distance) P-C4' energy: -66.531 flat angles C4'-P-C4' energy: -76.854 flat angles P-C4'-P energy: -48.686 tors. eta vs tors. theta energy: -112.827 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: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1098.960502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.960502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.960502 (E_RNA) where: Base-Base interactions energy: -734.091 where: short stacking energy: -348.774 Base-Backbone interact. energy: -0.862 local terms energy: -364.007022 where: bonds (distance) C4'-P energy: -61.492 bonds (distance) P-C4' energy: -75.092 flat angles C4'-P-C4' energy: -79.774 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -97.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1034.670112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.670112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.670112 (E_RNA) where: Base-Base interactions energy: -677.718 where: short stacking energy: -322.389 Base-Backbone interact. energy: 1.281 local terms energy: -358.232937 where: bonds (distance) C4'-P energy: -60.737 bonds (distance) P-C4' energy: -65.159 flat angles C4'-P-C4' energy: -80.089 flat angles P-C4'-P energy: -57.656 tors. eta vs tors. theta energy: -94.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -948.402323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.402323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.402323 (E_RNA) where: Base-Base interactions energy: -613.870 where: short stacking energy: -306.876 Base-Backbone interact. energy: 0.169 local terms energy: -334.700985 where: bonds (distance) C4'-P energy: -57.110 bonds (distance) P-C4' energy: -65.532 flat angles C4'-P-C4' energy: -75.384 flat angles P-C4'-P energy: -55.498 tors. eta vs tors. theta energy: -81.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -904.151702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.151702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.151702 (E_RNA) where: Base-Base interactions energy: -597.027 where: short stacking energy: -254.296 Base-Backbone interact. energy: -2.060 local terms energy: -305.064517 where: bonds (distance) C4'-P energy: -56.388 bonds (distance) P-C4' energy: -67.544 flat angles C4'-P-C4' energy: -56.248 flat angles P-C4'-P energy: -52.353 tors. eta vs tors. theta energy: -72.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -753.620654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.620654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.620654 (E_RNA) where: Base-Base interactions energy: -474.147 where: short stacking energy: -233.847 Base-Backbone interact. energy: -1.165 local terms energy: -278.309196 where: bonds (distance) C4'-P energy: -68.781 bonds (distance) P-C4' energy: -50.950 flat angles C4'-P-C4' energy: -64.881 flat angles P-C4'-P energy: -38.980 tors. eta vs tors. theta energy: -54.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -596.902030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.902030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.902030 (E_RNA) where: Base-Base interactions energy: -323.438 where: short stacking energy: -180.686 Base-Backbone interact. energy: -0.300 local terms energy: -273.163359 where: bonds (distance) C4'-P energy: -67.412 bonds (distance) P-C4' energy: -68.430 flat angles C4'-P-C4' energy: -62.099 flat angles P-C4'-P energy: -41.158 tors. eta vs tors. theta energy: -34.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -588.375907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.375907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.375907 (E_RNA) where: Base-Base interactions energy: -331.614 where: short stacking energy: -184.371 Base-Backbone interact. energy: -2.048 local terms energy: -254.713142 where: bonds (distance) C4'-P energy: -55.781 bonds (distance) P-C4' energy: -54.522 flat angles C4'-P-C4' energy: -60.574 flat angles P-C4'-P energy: -40.354 tors. eta vs tors. theta energy: -43.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -378.690288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.690288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.690288 (E_RNA) where: Base-Base interactions energy: -172.723 where: short stacking energy: -134.297 Base-Backbone interact. energy: 0.510 local terms energy: -206.477527 where: bonds (distance) C4'-P energy: -56.566 bonds (distance) P-C4' energy: -66.697 flat angles C4'-P-C4' energy: -41.277 flat angles P-C4'-P energy: -36.292 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -302.962825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.962825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.962825 (E_RNA) where: Base-Base interactions energy: -99.505 where: short stacking energy: -94.191 Base-Backbone interact. energy: -1.114 local terms energy: -202.343568 where: bonds (distance) C4'-P energy: -67.830 bonds (distance) P-C4' energy: -63.053 flat angles C4'-P-C4' energy: -45.940 flat angles P-C4'-P energy: -30.627 tors. eta vs tors. theta energy: 5.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1153.377096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.377096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.377096 (E_RNA) where: Base-Base interactions energy: -783.504 where: short stacking energy: -354.893 Base-Backbone interact. energy: 0.347 local terms energy: -370.219975 where: bonds (distance) C4'-P energy: -70.770 bonds (distance) P-C4' energy: -67.165 flat angles C4'-P-C4' energy: -71.654 flat angles P-C4'-P energy: -48.166 tors. eta vs tors. theta energy: -112.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1097.836273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.836273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.836273 (E_RNA) where: Base-Base interactions energy: -730.239 where: short stacking energy: -340.375 Base-Backbone interact. energy: -0.302 local terms energy: -367.295640 where: bonds (distance) C4'-P energy: -64.219 bonds (distance) P-C4' energy: -76.818 flat angles C4'-P-C4' energy: -74.253 flat angles P-C4'-P energy: -52.161 tors. eta vs tors. theta energy: -99.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1007.215027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.215027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.215027 (E_RNA) where: Base-Base interactions energy: -687.160 where: short stacking energy: -338.274 Base-Backbone interact. energy: 3.375 local terms energy: -323.430069 where: bonds (distance) C4'-P energy: -56.960 bonds (distance) P-C4' energy: -57.656 flat angles C4'-P-C4' energy: -72.766 flat angles P-C4'-P energy: -42.640 tors. eta vs tors. theta energy: -93.409 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: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -969.332484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.332484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.332484 (E_RNA) where: Base-Base interactions energy: -672.073 where: short stacking energy: -308.433 Base-Backbone interact. energy: -2.083 local terms energy: -295.176913 where: bonds (distance) C4'-P energy: -55.745 bonds (distance) P-C4' energy: -59.632 flat angles C4'-P-C4' energy: -67.222 flat angles P-C4'-P energy: -26.758 tors. eta vs tors. theta energy: -85.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -919.215983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.215983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.215983 (E_RNA) where: Base-Base interactions energy: -612.736 where: short stacking energy: -270.767 Base-Backbone interact. energy: -1.968 local terms energy: -304.512188 where: bonds (distance) C4'-P energy: -50.167 bonds (distance) P-C4' energy: -67.477 flat angles C4'-P-C4' energy: -71.262 flat angles P-C4'-P energy: -42.247 tors. eta vs tors. theta energy: -73.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -711.265640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.265640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.265640 (E_RNA) where: Base-Base interactions energy: -447.623 where: short stacking energy: -214.269 Base-Backbone interact. energy: 1.060 local terms energy: -264.703326 where: bonds (distance) C4'-P energy: -62.330 bonds (distance) P-C4' energy: -65.716 flat angles C4'-P-C4' energy: -57.521 flat angles P-C4'-P energy: -38.372 tors. eta vs tors. theta energy: -40.765 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: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -608.690030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.690030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.690030 (E_RNA) where: Base-Base interactions energy: -355.098 where: short stacking energy: -181.755 Base-Backbone interact. energy: -0.779 local terms energy: -252.812966 where: bonds (distance) C4'-P energy: -61.599 bonds (distance) P-C4' energy: -58.476 flat angles C4'-P-C4' energy: -55.573 flat angles P-C4'-P energy: -47.592 tors. eta vs tors. theta energy: -29.572 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: 111 Temperature: 1.250000 Total energy: -567.529356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.529356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.529356 (E_RNA) where: Base-Base interactions energy: -333.041 where: short stacking energy: -179.055 Base-Backbone interact. energy: 0.631 local terms energy: -235.119231 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -54.129 flat angles C4'-P-C4' energy: -52.748 flat angles P-C4'-P energy: -39.114 tors. eta vs tors. theta energy: -32.014 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: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -359.984486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.984486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.984486 (E_RNA) where: Base-Base interactions energy: -160.640 where: short stacking energy: -112.161 Base-Backbone interact. energy: 0.622 local terms energy: -199.966895 where: bonds (distance) C4'-P energy: -61.150 bonds (distance) P-C4' energy: -50.900 flat angles C4'-P-C4' energy: -60.321 flat angles P-C4'-P energy: -25.744 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -277.388504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.388504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.388504 (E_RNA) where: Base-Base interactions energy: -89.948 where: short stacking energy: -82.136 Base-Backbone interact. energy: -1.160 local terms energy: -186.281120 where: bonds (distance) C4'-P energy: -51.832 bonds (distance) P-C4' energy: -51.630 flat angles C4'-P-C4' energy: -53.778 flat angles P-C4'-P energy: -30.566 tors. eta vs tors. theta energy: 1.526 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: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1171.187709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.187709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.187709 (E_RNA) where: Base-Base interactions energy: -791.008 where: short stacking energy: -367.006 Base-Backbone interact. energy: 0.612 local terms energy: -380.791390 where: bonds (distance) C4'-P energy: -67.511 bonds (distance) P-C4' energy: -72.638 flat angles C4'-P-C4' energy: -75.628 flat angles P-C4'-P energy: -56.148 tors. eta vs tors. theta energy: -108.866 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: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1121.333923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.333923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.333923 (E_RNA) where: Base-Base interactions energy: -756.761 where: short stacking energy: -335.334 Base-Backbone interact. energy: -1.303 local terms energy: -363.269493 where: bonds (distance) C4'-P energy: -72.003 bonds (distance) P-C4' energy: -67.240 flat angles C4'-P-C4' energy: -76.296 flat angles P-C4'-P energy: -50.299 tors. eta vs tors. theta energy: -97.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1036.960310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.960310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.960310 (E_RNA) where: Base-Base interactions energy: -676.217 where: short stacking energy: -325.213 Base-Backbone interact. energy: -1.602 local terms energy: -359.140625 where: bonds (distance) C4'-P energy: -76.744 bonds (distance) P-C4' energy: -65.162 flat angles C4'-P-C4' energy: -69.373 flat angles P-C4'-P energy: -55.104 tors. eta vs tors. theta energy: -92.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -986.958154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.958154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.958154 (E_RNA) where: Base-Base interactions energy: -654.929 where: short stacking energy: -320.034 Base-Backbone interact. energy: 2.434 local terms energy: -334.463384 where: bonds (distance) C4'-P energy: -64.170 bonds (distance) P-C4' energy: -71.847 flat angles C4'-P-C4' energy: -71.528 flat angles P-C4'-P energy: -34.966 tors. eta vs tors. theta energy: -91.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -935.933642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.933642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.933642 (E_RNA) where: Base-Base interactions energy: -645.897 where: short stacking energy: -289.367 Base-Backbone interact. energy: 0.625 local terms energy: -290.662022 where: bonds (distance) C4'-P energy: -58.180 bonds (distance) P-C4' energy: -49.657 flat angles C4'-P-C4' energy: -60.782 flat angles P-C4'-P energy: -45.070 tors. eta vs tors. theta energy: -76.973 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: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -698.096874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.096874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.096874 (E_RNA) where: Base-Base interactions energy: -431.715 where: short stacking energy: -197.495 Base-Backbone interact. energy: -0.961 local terms energy: -265.420494 where: bonds (distance) C4'-P energy: -52.976 bonds (distance) P-C4' energy: -67.512 flat angles C4'-P-C4' energy: -64.241 flat angles P-C4'-P energy: -38.827 tors. eta vs tors. theta energy: -41.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -609.448005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.448005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.448005 (E_RNA) where: Base-Base interactions energy: -333.614 where: short stacking energy: -188.663 Base-Backbone interact. energy: 1.189 local terms energy: -277.023548 where: bonds (distance) C4'-P energy: -55.873 bonds (distance) P-C4' energy: -67.729 flat angles C4'-P-C4' energy: -61.115 flat angles P-C4'-P energy: -43.153 tors. eta vs tors. theta energy: -49.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -571.274679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.274679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.274679 (E_RNA) where: Base-Base interactions energy: -307.434 where: short stacking energy: -158.938 Base-Backbone interact. energy: 0.390 local terms energy: -264.230412 where: bonds (distance) C4'-P energy: -56.023 bonds (distance) P-C4' energy: -73.537 flat angles C4'-P-C4' energy: -57.992 flat angles P-C4'-P energy: -45.620 tors. eta vs tors. theta energy: -31.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -297.191525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.191525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.191525 (E_RNA) where: Base-Base interactions energy: -105.271 where: short stacking energy: -85.897 Base-Backbone interact. energy: 0.125 local terms energy: -192.045611 where: bonds (distance) C4'-P energy: -61.938 bonds (distance) P-C4' energy: -62.963 flat angles C4'-P-C4' energy: -45.503 flat angles P-C4'-P energy: -29.556 tors. eta vs tors. theta energy: 7.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -353.358403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.358403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.358403 (E_RNA) where: Base-Base interactions energy: -145.658 where: short stacking energy: -95.832 Base-Backbone interact. energy: 2.115 local terms energy: -209.815223 where: bonds (distance) C4'-P energy: -63.306 bonds (distance) P-C4' energy: -59.925 flat angles C4'-P-C4' energy: -50.550 flat angles P-C4'-P energy: -37.608 tors. eta vs tors. theta energy: 1.574 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: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1151.842138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.842138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.842138 (E_RNA) where: Base-Base interactions energy: -768.497 where: short stacking energy: -346.590 Base-Backbone interact. energy: 0.637 local terms energy: -383.981836 where: bonds (distance) C4'-P energy: -72.552 bonds (distance) P-C4' energy: -79.859 flat angles C4'-P-C4' energy: -79.295 flat angles P-C4'-P energy: -49.553 tors. eta vs tors. theta energy: -102.724 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: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1111.599971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.599971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.599971 (E_RNA) where: Base-Base interactions energy: -745.735 where: short stacking energy: -352.986 Base-Backbone interact. energy: -0.705 local terms energy: -365.159652 where: bonds (distance) C4'-P energy: -62.110 bonds (distance) P-C4' energy: -67.234 flat angles C4'-P-C4' energy: -83.367 flat angles P-C4'-P energy: -52.328 tors. eta vs tors. theta energy: -100.121 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: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1020.228247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.228247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.228247 (E_RNA) where: Base-Base interactions energy: -679.893 where: short stacking energy: -323.036 Base-Backbone interact. energy: 1.899 local terms energy: -342.233903 where: bonds (distance) C4'-P energy: -54.938 bonds (distance) P-C4' energy: -73.356 flat angles C4'-P-C4' energy: -66.237 flat angles P-C4'-P energy: -51.599 tors. eta vs tors. theta energy: -96.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -962.170478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.170478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.170478 (E_RNA) where: Base-Base interactions energy: -646.685 where: short stacking energy: -306.057 Base-Backbone interact. energy: -1.672 local terms energy: -313.813553 where: bonds (distance) C4'-P energy: -61.266 bonds (distance) P-C4' energy: -58.432 flat angles C4'-P-C4' energy: -64.710 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: -81.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -936.512217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.512217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.512217 (E_RNA) where: Base-Base interactions energy: -628.643 where: short stacking energy: -288.331 Base-Backbone interact. energy: 2.833 local terms energy: -310.702161 where: bonds (distance) C4'-P energy: -56.398 bonds (distance) P-C4' energy: -58.237 flat angles C4'-P-C4' energy: -73.858 flat angles P-C4'-P energy: -46.144 tors. eta vs tors. theta energy: -76.066 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: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -661.301105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.301105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.301105 (E_RNA) where: Base-Base interactions energy: -389.856 where: short stacking energy: -186.043 Base-Backbone interact. energy: -1.190 local terms energy: -270.255771 where: bonds (distance) C4'-P energy: -54.191 bonds (distance) P-C4' energy: -65.652 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -42.676 tors. eta vs tors. theta energy: -37.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -593.781923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.781923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.781923 (E_RNA) where: Base-Base interactions energy: -342.732 where: short stacking energy: -181.473 Base-Backbone interact. energy: 4.653 local terms energy: -255.703745 where: bonds (distance) C4'-P energy: -61.458 bonds (distance) P-C4' energy: -55.384 flat angles C4'-P-C4' energy: -63.326 flat angles P-C4'-P energy: -34.930 tors. eta vs tors. theta energy: -40.605 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: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -497.836979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.836979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.836979 (E_RNA) where: Base-Base interactions energy: -248.392 where: short stacking energy: -124.764 Base-Backbone interact. energy: -1.060 local terms energy: -248.384606 where: bonds (distance) C4'-P energy: -60.043 bonds (distance) P-C4' energy: -66.664 flat angles C4'-P-C4' energy: -63.086 flat angles P-C4'-P energy: -40.851 tors. eta vs tors. theta energy: -17.741 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: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -327.993587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.993587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.993587 (E_RNA) where: Base-Base interactions energy: -124.809 where: short stacking energy: -117.837 Base-Backbone interact. energy: -1.134 local terms energy: -202.051103 where: bonds (distance) C4'-P energy: -58.761 bonds (distance) P-C4' energy: -40.260 flat angles C4'-P-C4' energy: -57.554 flat angles P-C4'-P energy: -40.318 tors. eta vs tors. theta energy: -5.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -383.628914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.628914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.628914 (E_RNA) where: Base-Base interactions energy: -174.674 where: short stacking energy: -115.944 Base-Backbone interact. energy: 4.805 local terms energy: -213.759374 where: bonds (distance) C4'-P energy: -49.488 bonds (distance) P-C4' energy: -71.263 flat angles C4'-P-C4' energy: -57.822 flat angles P-C4'-P energy: -20.781 tors. eta vs tors. theta energy: -14.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1170.311424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.311424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.311424 (E_RNA) where: Base-Base interactions energy: -801.023 where: short stacking energy: -367.533 Base-Backbone interact. energy: -0.481 local terms energy: -368.808064 where: bonds (distance) C4'-P energy: -62.437 bonds (distance) P-C4' energy: -65.492 flat angles C4'-P-C4' energy: -76.377 flat angles P-C4'-P energy: -52.771 tors. eta vs tors. theta energy: -111.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1125.190715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.190715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.190715 (E_RNA) where: Base-Base interactions energy: -770.686 where: short stacking energy: -367.784 Base-Backbone interact. energy: -0.912 local terms energy: -353.592582 where: bonds (distance) C4'-P energy: -63.376 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -75.438 flat angles P-C4'-P energy: -47.164 tors. eta vs tors. theta energy: -101.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1016.402578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.402578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.402578 (E_RNA) where: Base-Base interactions energy: -673.464 where: short stacking energy: -320.283 Base-Backbone interact. energy: -0.852 local terms energy: -342.087133 where: bonds (distance) C4'-P energy: -64.951 bonds (distance) P-C4' energy: -55.714 flat angles C4'-P-C4' energy: -73.299 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -94.424 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: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -982.171579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.171579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.171579 (E_RNA) where: Base-Base interactions energy: -647.040 where: short stacking energy: -316.306 Base-Backbone interact. energy: 0.864 local terms energy: -335.995219 where: bonds (distance) C4'-P energy: -61.586 bonds (distance) P-C4' energy: -63.812 flat angles C4'-P-C4' energy: -69.584 flat angles P-C4'-P energy: -47.241 tors. eta vs tors. theta energy: -93.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -919.999188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.999188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.999188 (E_RNA) where: Base-Base interactions energy: -620.495 where: short stacking energy: -271.444 Base-Backbone interact. energy: 4.893 local terms energy: -304.396840 where: bonds (distance) C4'-P energy: -52.128 bonds (distance) P-C4' energy: -69.162 flat angles C4'-P-C4' energy: -73.767 flat angles P-C4'-P energy: -36.115 tors. eta vs tors. theta energy: -73.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -743.311640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.311640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.311640 (E_RNA) where: Base-Base interactions energy: -456.049 where: short stacking energy: -228.413 Base-Backbone interact. energy: -0.332 local terms energy: -286.929882 where: bonds (distance) C4'-P energy: -54.258 bonds (distance) P-C4' energy: -56.569 flat angles C4'-P-C4' energy: -67.551 flat angles P-C4'-P energy: -43.412 tors. eta vs tors. theta energy: -65.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -601.234605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.234605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.234605 (E_RNA) where: Base-Base interactions energy: -338.404 where: short stacking energy: -170.400 Base-Backbone interact. energy: -0.332 local terms energy: -262.498160 where: bonds (distance) C4'-P energy: -68.729 bonds (distance) P-C4' energy: -61.796 flat angles C4'-P-C4' energy: -59.707 flat angles P-C4'-P energy: -40.829 tors. eta vs tors. theta energy: -31.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -553.647251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.647251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.647251 (E_RNA) where: Base-Base interactions energy: -303.425 where: short stacking energy: -142.731 Base-Backbone interact. energy: 0.388 local terms energy: -250.610228 where: bonds (distance) C4'-P energy: -56.797 bonds (distance) P-C4' energy: -66.760 flat angles C4'-P-C4' energy: -52.200 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: -20.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -365.228382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.228382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.228382 (E_RNA) where: Base-Base interactions energy: -156.021 where: short stacking energy: -112.720 Base-Backbone interact. energy: 0.820 local terms energy: -210.027387 where: bonds (distance) C4'-P energy: -48.184 bonds (distance) P-C4' energy: -52.178 flat angles C4'-P-C4' energy: -54.801 flat angles P-C4'-P energy: -32.756 tors. eta vs tors. theta energy: -22.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -328.156412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.156412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.156412 (E_RNA) where: Base-Base interactions energy: -128.112 where: short stacking energy: -94.698 Base-Backbone interact. energy: 1.334 local terms energy: -201.378207 where: bonds (distance) C4'-P energy: -60.209 bonds (distance) P-C4' energy: -62.694 flat angles C4'-P-C4' energy: -49.638 flat angles P-C4'-P energy: -24.870 tors. eta vs tors. theta energy: -3.968 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: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1177.861194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.861194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.861194 (E_RNA) where: Base-Base interactions energy: -797.614 where: short stacking energy: -376.051 Base-Backbone interact. energy: -2.173 local terms energy: -378.074118 where: bonds (distance) C4'-P energy: -67.480 bonds (distance) P-C4' energy: -70.164 flat angles C4'-P-C4' energy: -80.409 flat angles P-C4'-P energy: -52.591 tors. eta vs tors. theta energy: -107.430 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: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1122.276112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.276112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.276112 (E_RNA) where: Base-Base interactions energy: -757.139 where: short stacking energy: -361.085 Base-Backbone interact. energy: -0.823 local terms energy: -364.314335 where: bonds (distance) C4'-P energy: -63.117 bonds (distance) P-C4' energy: -66.349 flat angles C4'-P-C4' energy: -81.312 flat angles P-C4'-P energy: -50.620 tors. eta vs tors. theta energy: -102.916 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: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1021.348919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.348919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.348919 (E_RNA) where: Base-Base interactions energy: -656.131 where: short stacking energy: -302.641 Base-Backbone interact. energy: -0.774 local terms energy: -364.444496 where: bonds (distance) C4'-P energy: -78.590 bonds (distance) P-C4' energy: -67.523 flat angles C4'-P-C4' energy: -74.152 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: -92.299 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: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1009.645646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.645646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.645646 (E_RNA) where: Base-Base interactions energy: -644.988 where: short stacking energy: -309.328 Base-Backbone interact. energy: 1.530 local terms energy: -366.187369 where: bonds (distance) C4'-P energy: -68.342 bonds (distance) P-C4' energy: -79.925 flat angles C4'-P-C4' energy: -74.733 flat angles P-C4'-P energy: -48.494 tors. eta vs tors. theta energy: -94.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -900.908954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.908954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.908954 (E_RNA) where: Base-Base interactions energy: -597.167 where: short stacking energy: -273.816 Base-Backbone interact. energy: -2.275 local terms energy: -301.466794 where: bonds (distance) C4'-P energy: -62.505 bonds (distance) P-C4' energy: -59.781 flat angles C4'-P-C4' energy: -59.917 flat angles P-C4'-P energy: -51.333 tors. eta vs tors. theta energy: -67.931 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: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -712.525955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.525955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.525955 (E_RNA) where: Base-Base interactions energy: -445.548 where: short stacking energy: -205.165 Base-Backbone interact. energy: 1.702 local terms energy: -268.679830 where: bonds (distance) C4'-P energy: -64.698 bonds (distance) P-C4' energy: -70.044 flat angles C4'-P-C4' energy: -60.280 flat angles P-C4'-P energy: -39.422 tors. eta vs tors. theta energy: -34.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -619.261378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.261378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.261378 (E_RNA) where: Base-Base interactions energy: -349.038 where: short stacking energy: -180.763 Base-Backbone interact. energy: -0.515 local terms energy: -269.708249 where: bonds (distance) C4'-P energy: -65.154 bonds (distance) P-C4' energy: -58.843 flat angles C4'-P-C4' energy: -64.866 flat angles P-C4'-P energy: -40.049 tors. eta vs tors. theta energy: -40.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -664.933622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.933622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.933622 (E_RNA) where: Base-Base interactions energy: -425.622 where: short stacking energy: -198.405 Base-Backbone interact. energy: 1.938 local terms energy: -241.249771 where: bonds (distance) C4'-P energy: -39.559 bonds (distance) P-C4' energy: -57.264 flat angles C4'-P-C4' energy: -68.592 flat angles P-C4'-P energy: -39.518 tors. eta vs tors. theta energy: -36.317 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: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -428.601416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.601416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.601416 (E_RNA) where: Base-Base interactions energy: -210.575 where: short stacking energy: -126.010 Base-Backbone interact. energy: -0.926 local terms energy: -217.100929 where: bonds (distance) C4'-P energy: -56.270 bonds (distance) P-C4' energy: -51.643 flat angles C4'-P-C4' energy: -55.989 flat angles P-C4'-P energy: -48.007 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -328.322789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.322789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.322789 (E_RNA) where: Base-Base interactions energy: -123.019 where: short stacking energy: -113.631 Base-Backbone interact. energy: 1.086 local terms energy: -206.389262 where: bonds (distance) C4'-P energy: -55.450 bonds (distance) P-C4' energy: -59.231 flat angles C4'-P-C4' energy: -50.994 flat angles P-C4'-P energy: -31.810 tors. eta vs tors. theta energy: -8.903 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: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1165.396215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.396215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.396215 (E_RNA) where: Base-Base interactions energy: -791.281 where: short stacking energy: -377.640 Base-Backbone interact. energy: -1.400 local terms energy: -372.715418 where: bonds (distance) C4'-P energy: -62.703 bonds (distance) P-C4' energy: -64.470 flat angles C4'-P-C4' energy: -75.152 flat angles P-C4'-P energy: -52.220 tors. eta vs tors. theta energy: -118.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1137.668417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.668417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.668417 (E_RNA) where: Base-Base interactions energy: -755.938 where: short stacking energy: -354.237 Base-Backbone interact. energy: -0.481 local terms energy: -381.249334 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -69.573 flat angles C4'-P-C4' energy: -73.663 flat angles P-C4'-P energy: -63.824 tors. eta vs tors. theta energy: -106.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1024.329987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.329987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.329987 (E_RNA) where: Base-Base interactions energy: -678.960 where: short stacking energy: -319.485 Base-Backbone interact. energy: 1.741 local terms energy: -347.111109 where: bonds (distance) C4'-P energy: -56.477 bonds (distance) P-C4' energy: -71.323 flat angles C4'-P-C4' energy: -74.132 flat angles P-C4'-P energy: -51.321 tors. eta vs tors. theta energy: -93.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1009.363946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.363946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.363946 (E_RNA) where: Base-Base interactions energy: -678.322 where: short stacking energy: -314.520 Base-Backbone interact. energy: -0.352 local terms energy: -330.690180 where: bonds (distance) C4'-P energy: -53.161 bonds (distance) P-C4' energy: -66.676 flat angles C4'-P-C4' energy: -70.991 flat angles P-C4'-P energy: -43.036 tors. eta vs tors. theta energy: -96.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -881.286972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.286972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.286972 (E_RNA) where: Base-Base interactions energy: -580.770 where: short stacking energy: -260.373 Base-Backbone interact. energy: -2.347 local terms energy: -298.169601 where: bonds (distance) C4'-P energy: -63.519 bonds (distance) P-C4' energy: -64.898 flat angles C4'-P-C4' energy: -66.907 flat angles P-C4'-P energy: -38.521 tors. eta vs tors. theta energy: -64.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -719.010771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.010771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.010771 (E_RNA) where: Base-Base interactions energy: -447.121 where: short stacking energy: -209.504 Base-Backbone interact. energy: -0.788 local terms energy: -271.101729 where: bonds (distance) C4'-P energy: -60.125 bonds (distance) P-C4' energy: -68.133 flat angles C4'-P-C4' energy: -54.297 flat angles P-C4'-P energy: -42.632 tors. eta vs tors. theta energy: -45.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -730.910889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.910889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.910889 (E_RNA) where: Base-Base interactions energy: -442.547 where: short stacking energy: -222.196 Base-Backbone interact. energy: -0.638 local terms energy: -287.726192 where: bonds (distance) C4'-P energy: -57.163 bonds (distance) P-C4' energy: -68.030 flat angles C4'-P-C4' energy: -64.989 flat angles P-C4'-P energy: -37.344 tors. eta vs tors. theta energy: -60.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -604.178871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.178871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.178871 (E_RNA) where: Base-Base interactions energy: -338.779 where: short stacking energy: -190.554 Base-Backbone interact. energy: -1.050 local terms energy: -264.349988 where: bonds (distance) C4'-P energy: -51.538 bonds (distance) P-C4' energy: -60.339 flat angles C4'-P-C4' energy: -62.576 flat angles P-C4'-P energy: -39.882 tors. eta vs tors. theta energy: -50.016 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: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -448.745029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.745029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.745029 (E_RNA) where: Base-Base interactions energy: -225.492 where: short stacking energy: -121.501 Base-Backbone interact. energy: -2.108 local terms energy: -221.144906 where: bonds (distance) C4'-P energy: -57.035 bonds (distance) P-C4' energy: -69.096 flat angles C4'-P-C4' energy: -51.605 flat angles P-C4'-P energy: -32.062 tors. eta vs tors. theta energy: -11.347 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: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -289.203646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.203646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.203646 (E_RNA) where: Base-Base interactions energy: -95.359 where: short stacking energy: -87.548 Base-Backbone interact. energy: 0.981 local terms energy: -194.826123 where: bonds (distance) C4'-P energy: -61.472 bonds (distance) P-C4' energy: -61.777 flat angles C4'-P-C4' energy: -60.813 flat angles P-C4'-P energy: -13.710 tors. eta vs tors. theta energy: 2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1179.515549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.515549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.515549 (E_RNA) where: Base-Base interactions energy: -783.025 where: short stacking energy: -371.112 Base-Backbone interact. energy: -0.900 local terms energy: -395.589660 where: bonds (distance) C4'-P energy: -75.546 bonds (distance) P-C4' energy: -74.545 flat angles C4'-P-C4' energy: -78.646 flat angles P-C4'-P energy: -50.949 tors. eta vs tors. theta energy: -115.904 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: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1104.633460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.633460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.633460 (E_RNA) where: Base-Base interactions energy: -758.078 where: short stacking energy: -346.914 Base-Backbone interact. energy: -1.045 local terms energy: -345.509877 where: bonds (distance) C4'-P energy: -64.908 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -67.542 flat angles P-C4'-P energy: -46.351 tors. eta vs tors. theta energy: -102.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1007.174104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.174104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.174104 (E_RNA) where: Base-Base interactions energy: -657.033 where: short stacking energy: -323.961 Base-Backbone interact. energy: -0.500 local terms energy: -349.641866 where: bonds (distance) C4'-P energy: -70.423 bonds (distance) P-C4' energy: -69.096 flat angles C4'-P-C4' energy: -78.377 flat angles P-C4'-P energy: -43.746 tors. eta vs tors. theta energy: -87.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -997.329236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.329236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.329236 (E_RNA) where: Base-Base interactions energy: -673.687 where: short stacking energy: -321.931 Base-Backbone interact. energy: -0.458 local terms energy: -323.184838 where: bonds (distance) C4'-P energy: -69.266 bonds (distance) P-C4' energy: -45.743 flat angles C4'-P-C4' energy: -67.755 flat angles P-C4'-P energy: -48.996 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: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -900.816760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.816760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.816760 (E_RNA) where: Base-Base interactions energy: -592.825 where: short stacking energy: -282.165 Base-Backbone interact. energy: 1.599 local terms energy: -309.590135 where: bonds (distance) C4'-P energy: -64.795 bonds (distance) P-C4' energy: -66.645 flat angles C4'-P-C4' energy: -61.943 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -69.364 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: 6, replica: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -794.121216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.121216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.121216 (E_RNA) where: Base-Base interactions energy: -517.389 where: short stacking energy: -256.042 Base-Backbone interact. energy: -0.618 local terms energy: -276.114714 where: bonds (distance) C4'-P energy: -56.744 bonds (distance) P-C4' energy: -56.049 flat angles C4'-P-C4' energy: -56.823 flat angles P-C4'-P energy: -34.698 tors. eta vs tors. theta energy: -71.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -697.879707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.879707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.879707 (E_RNA) where: Base-Base interactions energy: -455.576 where: short stacking energy: -201.473 Base-Backbone interact. energy: -2.100 local terms energy: -240.204067 where: bonds (distance) C4'-P energy: -50.960 bonds (distance) P-C4' energy: -67.106 flat angles C4'-P-C4' energy: -61.276 flat angles P-C4'-P energy: -24.395 tors. eta vs tors. theta energy: -36.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -595.795862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.795862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.795862 (E_RNA) where: Base-Base interactions energy: -344.262 where: short stacking energy: -186.783 Base-Backbone interact. energy: -0.426 local terms energy: -251.108494 where: bonds (distance) C4'-P energy: -57.725 bonds (distance) P-C4' energy: -50.242 flat angles C4'-P-C4' energy: -59.264 flat angles P-C4'-P energy: -46.052 tors. eta vs tors. theta energy: -37.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -420.183445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.183445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.183445 (E_RNA) where: Base-Base interactions energy: -213.922 where: short stacking energy: -114.794 Base-Backbone interact. energy: 2.028 local terms energy: -208.289606 where: bonds (distance) C4'-P energy: -60.111 bonds (distance) P-C4' energy: -62.553 flat angles C4'-P-C4' energy: -52.528 flat angles P-C4'-P energy: -25.240 tors. eta vs tors. theta energy: -7.858 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: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -303.167209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.167209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.167209 (E_RNA) where: Base-Base interactions energy: -116.618 where: short stacking energy: -110.605 Base-Backbone interact. energy: 1.462 local terms energy: -188.011942 where: bonds (distance) C4'-P energy: -62.767 bonds (distance) P-C4' energy: -47.993 flat angles C4'-P-C4' energy: -50.680 flat angles P-C4'-P energy: -25.796 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1167.556286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.556286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.556286 (E_RNA) where: Base-Base interactions energy: -778.441 where: short stacking energy: -362.077 Base-Backbone interact. energy: -1.138 local terms energy: -387.977483 where: bonds (distance) C4'-P energy: -71.232 bonds (distance) P-C4' energy: -73.867 flat angles C4'-P-C4' energy: -78.477 flat angles P-C4'-P energy: -50.928 tors. eta vs tors. theta energy: -113.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1119.980520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.980520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.980520 (E_RNA) where: Base-Base interactions energy: -733.889 where: short stacking energy: -346.329 Base-Backbone interact. energy: -0.824 local terms energy: -385.268043 where: bonds (distance) C4'-P energy: -67.388 bonds (distance) P-C4' energy: -74.584 flat angles C4'-P-C4' energy: -77.852 flat angles P-C4'-P energy: -53.432 tors. eta vs tors. theta energy: -112.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1008.551429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.551429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.551429 (E_RNA) where: Base-Base interactions energy: -664.229 where: short stacking energy: -293.914 Base-Backbone interact. energy: -1.776 local terms energy: -342.546470 where: bonds (distance) C4'-P energy: -55.495 bonds (distance) P-C4' energy: -70.595 flat angles C4'-P-C4' energy: -77.929 flat angles P-C4'-P energy: -46.689 tors. eta vs tors. theta energy: -91.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -992.503758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.503758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.503758 (E_RNA) where: Base-Base interactions energy: -653.941 where: short stacking energy: -318.347 Base-Backbone interact. energy: 0.096 local terms energy: -338.658635 where: bonds (distance) C4'-P energy: -61.208 bonds (distance) P-C4' energy: -73.918 flat angles C4'-P-C4' energy: -68.402 flat angles P-C4'-P energy: -47.397 tors. eta vs tors. theta energy: -87.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -881.680170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.680170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.680170 (E_RNA) where: Base-Base interactions energy: -598.313 where: short stacking energy: -269.709 Base-Backbone interact. energy: -1.087 local terms energy: -282.280203 where: bonds (distance) C4'-P energy: -57.681 bonds (distance) P-C4' energy: -62.990 flat angles C4'-P-C4' energy: -62.875 flat angles P-C4'-P energy: -35.075 tors. eta vs tors. theta energy: -63.658 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: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -813.949532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.949532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.949532 (E_RNA) where: Base-Base interactions energy: -521.809 where: short stacking energy: -257.948 Base-Backbone interact. energy: 0.454 local terms energy: -292.594751 where: bonds (distance) C4'-P energy: -62.985 bonds (distance) P-C4' energy: -68.445 flat angles C4'-P-C4' energy: -54.577 flat angles P-C4'-P energy: -43.868 tors. eta vs tors. theta energy: -62.720 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: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -700.168878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.168878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.168878 (E_RNA) where: Base-Base interactions energy: -430.944 where: short stacking energy: -216.974 Base-Backbone interact. energy: -0.510 local terms energy: -268.714769 where: bonds (distance) C4'-P energy: -68.212 bonds (distance) P-C4' energy: -63.568 flat angles C4'-P-C4' energy: -59.630 flat angles P-C4'-P energy: -32.991 tors. eta vs tors. theta energy: -44.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -613.154087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.154087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.154087 (E_RNA) where: Base-Base interactions energy: -341.344 where: short stacking energy: -170.385 Base-Backbone interact. energy: -1.577 local terms energy: -270.232515 where: bonds (distance) C4'-P energy: -64.362 bonds (distance) P-C4' energy: -59.316 flat angles C4'-P-C4' energy: -58.770 flat angles P-C4'-P energy: -49.825 tors. eta vs tors. theta energy: -37.961 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: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -358.031555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.031555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.031555 (E_RNA) where: Base-Base interactions energy: -147.687 where: short stacking energy: -98.764 Base-Backbone interact. energy: 3.085 local terms energy: -213.429364 where: bonds (distance) C4'-P energy: -64.347 bonds (distance) P-C4' energy: -68.534 flat angles C4'-P-C4' energy: -41.930 flat angles P-C4'-P energy: -33.188 tors. eta vs tors. theta energy: -5.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -300.247986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.247986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.247986 (E_RNA) where: Base-Base interactions energy: -119.534 where: short stacking energy: -86.737 Base-Backbone interact. energy: -0.969 local terms energy: -179.744943 where: bonds (distance) C4'-P energy: -47.951 bonds (distance) P-C4' energy: -64.709 flat angles C4'-P-C4' energy: -51.045 flat angles P-C4'-P energy: -16.264 tors. eta vs tors. theta energy: 0.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1156.683300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.683300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.683300 (E_RNA) where: Base-Base interactions energy: -773.158 where: short stacking energy: -363.130 Base-Backbone interact. energy: -0.037 local terms energy: -383.488234 where: bonds (distance) C4'-P energy: -71.816 bonds (distance) P-C4' energy: -71.369 flat angles C4'-P-C4' energy: -78.766 flat angles P-C4'-P energy: -54.401 tors. eta vs tors. theta energy: -107.136 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: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1145.621731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.621731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.621731 (E_RNA) where: Base-Base interactions energy: -780.731 where: short stacking energy: -368.555 Base-Backbone interact. energy: 0.134 local terms energy: -365.024152 where: bonds (distance) C4'-P energy: -57.315 bonds (distance) P-C4' energy: -64.345 flat angles C4'-P-C4' energy: -76.770 flat angles P-C4'-P energy: -56.219 tors. eta vs tors. theta energy: -110.375 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: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1025.031721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.031721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.031721 (E_RNA) where: Base-Base interactions energy: -693.995 where: short stacking energy: -335.118 Base-Backbone interact. energy: 1.244 local terms energy: -332.280875 where: bonds (distance) C4'-P energy: -68.332 bonds (distance) P-C4' energy: -60.328 flat angles C4'-P-C4' energy: -75.787 flat angles P-C4'-P energy: -33.021 tors. eta vs tors. theta energy: -94.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -976.677044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.677044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.677044 (E_RNA) where: Base-Base interactions energy: -620.597 where: short stacking energy: -305.012 Base-Backbone interact. energy: -0.334 local terms energy: -355.745799 where: bonds (distance) C4'-P energy: -58.673 bonds (distance) P-C4' energy: -73.098 flat angles C4'-P-C4' energy: -80.784 flat angles P-C4'-P energy: -58.910 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: 5, replica: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -888.526671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.526671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.526671 (E_RNA) where: Base-Base interactions energy: -571.575 where: short stacking energy: -274.904 Base-Backbone interact. energy: -1.594 local terms energy: -315.357588 where: bonds (distance) C4'-P energy: -64.144 bonds (distance) P-C4' energy: -66.767 flat angles C4'-P-C4' energy: -72.417 flat angles P-C4'-P energy: -42.515 tors. eta vs tors. theta energy: -69.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -817.557213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.557213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.557213 (E_RNA) where: Base-Base interactions energy: -527.890 where: short stacking energy: -240.841 Base-Backbone interact. energy: 1.136 local terms energy: -290.803039 where: bonds (distance) C4'-P energy: -61.665 bonds (distance) P-C4' energy: -58.607 flat angles C4'-P-C4' energy: -66.283 flat angles P-C4'-P energy: -41.457 tors. eta vs tors. theta energy: -62.791 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: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -707.702177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.702177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.702177 (E_RNA) where: Base-Base interactions energy: -450.737 where: short stacking energy: -218.871 Base-Backbone interact. energy: -0.119 local terms energy: -256.845712 where: bonds (distance) C4'-P energy: -64.165 bonds (distance) P-C4' energy: -57.953 flat angles C4'-P-C4' energy: -61.012 flat angles P-C4'-P energy: -32.472 tors. eta vs tors. theta energy: -41.244 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: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -641.273226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.273226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.273226 (E_RNA) where: Base-Base interactions energy: -361.479 where: short stacking energy: -187.106 Base-Backbone interact. energy: -1.496 local terms energy: -278.297750 where: bonds (distance) C4'-P energy: -57.511 bonds (distance) P-C4' energy: -68.727 flat angles C4'-P-C4' energy: -66.837 flat angles P-C4'-P energy: -35.614 tors. eta vs tors. theta energy: -49.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -366.003466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.003466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.003466 (E_RNA) where: Base-Base interactions energy: -169.973 where: short stacking energy: -119.911 Base-Backbone interact. energy: 2.334 local terms energy: -198.364366 where: bonds (distance) C4'-P energy: -49.229 bonds (distance) P-C4' energy: -66.502 flat angles C4'-P-C4' energy: -35.739 flat angles P-C4'-P energy: -39.417 tors. eta vs tors. theta energy: -7.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -277.649791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.649791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.649791 (E_RNA) where: Base-Base interactions energy: -99.296 where: short stacking energy: -67.896 Base-Backbone interact. energy: -1.665 local terms energy: -176.689412 where: bonds (distance) C4'-P energy: -64.055 bonds (distance) P-C4' energy: -60.151 flat angles C4'-P-C4' energy: -39.990 flat angles P-C4'-P energy: -24.924 tors. eta vs tors. theta energy: 12.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1172.194838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.194838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.194838 (E_RNA) where: Base-Base interactions energy: -781.433 where: short stacking energy: -365.598 Base-Backbone interact. energy: -0.600 local terms energy: -390.162273 where: bonds (distance) C4'-P energy: -71.042 bonds (distance) P-C4' energy: -72.213 flat angles C4'-P-C4' energy: -77.343 flat angles P-C4'-P energy: -60.474 tors. eta vs tors. theta energy: -109.090 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: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1150.425325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.425325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.425325 (E_RNA) where: Base-Base interactions energy: -772.311 where: short stacking energy: -362.751 Base-Backbone interact. energy: -0.628 local terms energy: -377.486684 where: bonds (distance) C4'-P energy: -70.042 bonds (distance) P-C4' energy: -71.808 flat angles C4'-P-C4' energy: -73.486 flat angles P-C4'-P energy: -52.910 tors. eta vs tors. theta energy: -109.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1017.343767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.343767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.343767 (E_RNA) where: Base-Base interactions energy: -667.499 where: short stacking energy: -314.616 Base-Backbone interact. energy: -1.341 local terms energy: -348.503862 where: bonds (distance) C4'-P energy: -74.052 bonds (distance) P-C4' energy: -73.853 flat angles C4'-P-C4' energy: -63.846 flat angles P-C4'-P energy: -48.219 tors. eta vs tors. theta energy: -88.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -970.963076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.963076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.963076 (E_RNA) where: Base-Base interactions energy: -642.939 where: short stacking energy: -304.478 Base-Backbone interact. energy: -1.005 local terms energy: -327.019162 where: bonds (distance) C4'-P energy: -63.523 bonds (distance) P-C4' energy: -65.136 flat angles C4'-P-C4' energy: -72.670 flat angles P-C4'-P energy: -39.513 tors. eta vs tors. theta energy: -86.177 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: 120 Temperature: 1.100000 Total energy: -847.799294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.799294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.799294 (E_RNA) where: Base-Base interactions energy: -542.029 where: short stacking energy: -257.383 Base-Backbone interact. energy: -3.389 local terms energy: -302.381708 where: bonds (distance) C4'-P energy: -51.208 bonds (distance) P-C4' energy: -65.708 flat angles C4'-P-C4' energy: -66.990 flat angles P-C4'-P energy: -52.640 tors. eta vs tors. theta energy: -65.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -830.779422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.779422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.779422 (E_RNA) where: Base-Base interactions energy: -556.469 where: short stacking energy: -236.816 Base-Backbone interact. energy: -0.033 local terms energy: -274.277577 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -55.116 flat angles C4'-P-C4' energy: -58.001 flat angles P-C4'-P energy: -50.793 tors. eta vs tors. theta energy: -52.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -643.939594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.939594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.939594 (E_RNA) where: Base-Base interactions energy: -372.951 where: short stacking energy: -179.977 Base-Backbone interact. energy: -0.260 local terms energy: -270.729161 where: bonds (distance) C4'-P energy: -64.968 bonds (distance) P-C4' energy: -74.881 flat angles C4'-P-C4' energy: -46.163 flat angles P-C4'-P energy: -45.675 tors. eta vs tors. theta energy: -39.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -591.784823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.784823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.784823 (E_RNA) where: Base-Base interactions energy: -362.164 where: short stacking energy: -168.897 Base-Backbone interact. energy: 0.095 local terms energy: -229.716296 where: bonds (distance) C4'-P energy: -60.213 bonds (distance) P-C4' energy: -46.489 flat angles C4'-P-C4' energy: -56.757 flat angles P-C4'-P energy: -32.169 tors. eta vs tors. theta energy: -34.088 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: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -314.544084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.544084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.544084 (E_RNA) where: Base-Base interactions energy: -110.314 where: short stacking energy: -104.609 Base-Backbone interact. energy: 0.136 local terms energy: -204.365779 where: bonds (distance) C4'-P energy: -69.553 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -45.423 flat angles P-C4'-P energy: -20.036 tors. eta vs tors. theta energy: -2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -335.149303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.149303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.149303 (E_RNA) where: Base-Base interactions energy: -157.971 where: short stacking energy: -111.242 Base-Backbone interact. energy: 0.149 local terms energy: -177.327429 where: bonds (distance) C4'-P energy: -39.697 bonds (distance) P-C4' energy: -60.711 flat angles C4'-P-C4' energy: -56.102 flat angles P-C4'-P energy: -26.240 tors. eta vs tors. theta energy: 5.423 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: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1183.505119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.505119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.505119 (E_RNA) where: Base-Base interactions energy: -799.236 where: short stacking energy: -363.536 Base-Backbone interact. energy: -0.993 local terms energy: -383.275765 where: bonds (distance) C4'-P energy: -70.897 bonds (distance) P-C4' energy: -74.210 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -58.137 tors. eta vs tors. theta energy: -105.875 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: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1134.557164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.557164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.557164 (E_RNA) where: Base-Base interactions energy: -767.115 where: short stacking energy: -351.875 Base-Backbone interact. energy: -0.852 local terms energy: -366.590120 where: bonds (distance) C4'-P energy: -69.137 bonds (distance) P-C4' energy: -62.872 flat angles C4'-P-C4' energy: -75.072 flat angles P-C4'-P energy: -47.540 tors. eta vs tors. theta energy: -111.970 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: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1020.518257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.518257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.518257 (E_RNA) where: Base-Base interactions energy: -673.958 where: short stacking energy: -317.046 Base-Backbone interact. energy: -0.258 local terms energy: -346.301977 where: bonds (distance) C4'-P energy: -60.424 bonds (distance) P-C4' energy: -71.008 flat angles C4'-P-C4' energy: -71.572 flat angles P-C4'-P energy: -44.712 tors. eta vs tors. theta energy: -98.587 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: 2 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -995.584141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.584141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.584141 (E_RNA) where: Base-Base interactions energy: -662.186 where: short stacking energy: -314.236 Base-Backbone interact. energy: -1.007 local terms energy: -332.391526 where: bonds (distance) C4'-P energy: -61.879 bonds (distance) P-C4' energy: -57.301 flat angles C4'-P-C4' energy: -73.339 flat angles P-C4'-P energy: -48.568 tors. eta vs tors. theta energy: -91.304 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: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -854.776612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.776612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.776612 (E_RNA) where: Base-Base interactions energy: -549.485 where: short stacking energy: -260.150 Base-Backbone interact. energy: 1.131 local terms energy: -306.421804 where: bonds (distance) C4'-P energy: -70.038 bonds (distance) P-C4' energy: -59.208 flat angles C4'-P-C4' energy: -70.051 flat angles P-C4'-P energy: -41.280 tors. eta vs tors. theta energy: -65.845 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: 8 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -772.342170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.342170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.342170 (E_RNA) where: Base-Base interactions energy: -502.318 where: short stacking energy: -234.375 Base-Backbone interact. energy: -0.776 local terms energy: -269.248060 where: bonds (distance) C4'-P energy: -54.737 bonds (distance) P-C4' energy: -58.743 flat angles C4'-P-C4' energy: -65.482 flat angles P-C4'-P energy: -36.412 tors. eta vs tors. theta energy: -53.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -646.186904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.186904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.186904 (E_RNA) where: Base-Base interactions energy: -390.609 where: short stacking energy: -172.445 Base-Backbone interact. energy: -0.920 local terms energy: -254.658688 where: bonds (distance) C4'-P energy: -47.327 bonds (distance) P-C4' energy: -66.108 flat angles C4'-P-C4' energy: -67.797 flat angles P-C4'-P energy: -35.238 tors. eta vs tors. theta energy: -38.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -589.908612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.908612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.908612 (E_RNA) where: Base-Base interactions energy: -348.141 where: short stacking energy: -173.379 Base-Backbone interact. energy: 2.971 local terms energy: -244.738442 where: bonds (distance) C4'-P energy: -59.699 bonds (distance) P-C4' energy: -57.663 flat angles C4'-P-C4' energy: -59.503 flat angles P-C4'-P energy: -31.311 tors. eta vs tors. theta energy: -36.562 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: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -311.478901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.478901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.478901 (E_RNA) where: Base-Base interactions energy: -118.365 where: short stacking energy: -110.452 Base-Backbone interact. energy: 0.509 local terms energy: -193.623042 where: bonds (distance) C4'-P energy: -51.858 bonds (distance) P-C4' energy: -63.903 flat angles C4'-P-C4' energy: -45.620 flat angles P-C4'-P energy: -30.509 tors. eta vs tors. theta energy: -1.732 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: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -294.177103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.177103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.177103 (E_RNA) where: Base-Base interactions energy: -101.524 where: short stacking energy: -85.470 Base-Backbone interact. energy: -1.696 local terms energy: -190.957033 where: bonds (distance) C4'-P energy: -64.622 bonds (distance) P-C4' energy: -58.511 flat angles C4'-P-C4' energy: -46.643 flat angles P-C4'-P energy: -25.939 tors. eta vs tors. theta energy: 4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1192.098070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.098070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.098070 (E_RNA) where: Base-Base interactions energy: -811.290 where: short stacking energy: -378.374 Base-Backbone interact. energy: -0.397 local terms energy: -380.411737 where: bonds (distance) C4'-P energy: -71.243 bonds (distance) P-C4' energy: -72.296 flat angles C4'-P-C4' energy: -79.420 flat angles P-C4'-P energy: -53.550 tors. eta vs tors. theta energy: -103.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1136.973848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.973848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.973848 (E_RNA) where: Base-Base interactions energy: -759.268 where: short stacking energy: -363.263 Base-Backbone interact. energy: -1.156 local terms energy: -376.550128 where: bonds (distance) C4'-P energy: -70.642 bonds (distance) P-C4' energy: -71.227 flat angles C4'-P-C4' energy: -74.669 flat angles P-C4'-P energy: -57.742 tors. eta vs tors. theta energy: -102.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1039.728855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.728855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.728855 (E_RNA) where: Base-Base interactions energy: -687.142 where: short stacking energy: -345.481 Base-Backbone interact. energy: -0.839 local terms energy: -351.747402 where: bonds (distance) C4'-P energy: -66.400 bonds (distance) P-C4' energy: -68.470 flat angles C4'-P-C4' energy: -71.387 flat angles P-C4'-P energy: -50.741 tors. eta vs tors. theta energy: -94.750 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: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -984.723157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.723157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.723157 (E_RNA) where: Base-Base interactions energy: -651.433 where: short stacking energy: -302.660 Base-Backbone interact. energy: -0.431 local terms energy: -332.858897 where: bonds (distance) C4'-P energy: -67.078 bonds (distance) P-C4' energy: -69.890 flat angles C4'-P-C4' energy: -69.715 flat angles P-C4'-P energy: -38.749 tors. eta vs tors. theta energy: -87.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -839.330146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.330146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.330146 (E_RNA) where: Base-Base interactions energy: -529.035 where: short stacking energy: -277.088 Base-Backbone interact. energy: 0.631 local terms energy: -310.925759 where: bonds (distance) C4'-P energy: -67.457 bonds (distance) P-C4' energy: -64.351 flat angles C4'-P-C4' energy: -65.809 flat angles P-C4'-P energy: -43.973 tors. eta vs tors. theta energy: -69.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -791.500599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.500599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.500599 (E_RNA) where: Base-Base interactions energy: -538.167 where: short stacking energy: -233.821 Base-Backbone interact. energy: 1.205 local terms energy: -254.538196 where: bonds (distance) C4'-P energy: -46.598 bonds (distance) P-C4' energy: -66.039 flat angles C4'-P-C4' energy: -59.380 flat angles P-C4'-P energy: -33.976 tors. eta vs tors. theta energy: -48.545 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: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -606.732791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.732791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.732791 (E_RNA) where: Base-Base interactions energy: -367.812 where: short stacking energy: -191.056 Base-Backbone interact. energy: -0.802 local terms energy: -238.118159 where: bonds (distance) C4'-P energy: -51.931 bonds (distance) P-C4' energy: -72.393 flat angles C4'-P-C4' energy: -51.724 flat angles P-C4'-P energy: -30.506 tors. eta vs tors. theta energy: -31.564 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: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -595.187825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.187825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.187825 (E_RNA) where: Base-Base interactions energy: -357.286 where: short stacking energy: -172.343 Base-Backbone interact. energy: 2.024 local terms energy: -239.925889 where: bonds (distance) C4'-P energy: -66.351 bonds (distance) P-C4' energy: -44.908 flat angles C4'-P-C4' energy: -54.063 flat angles P-C4'-P energy: -39.807 tors. eta vs tors. theta energy: -34.797 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: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -342.252763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.252763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.252763 (E_RNA) where: Base-Base interactions energy: -147.011 where: short stacking energy: -118.038 Base-Backbone interact. energy: -2.952 local terms energy: -192.290385 where: bonds (distance) C4'-P energy: -44.146 bonds (distance) P-C4' energy: -57.461 flat angles C4'-P-C4' energy: -49.669 flat angles P-C4'-P energy: -31.767 tors. eta vs tors. theta energy: -9.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -319.739768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.739768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.739768 (E_RNA) where: Base-Base interactions energy: -145.635 where: short stacking energy: -102.448 Base-Backbone interact. energy: 0.502 local terms energy: -174.607627 where: bonds (distance) C4'-P energy: -60.520 bonds (distance) P-C4' energy: -54.991 flat angles C4'-P-C4' energy: -50.478 flat angles P-C4'-P energy: -23.382 tors. eta vs tors. theta energy: 14.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1171.742334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.742334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.742334 (E_RNA) where: Base-Base interactions energy: -796.112 where: short stacking energy: -373.468 Base-Backbone interact. energy: -1.433 local terms energy: -374.196752 where: bonds (distance) C4'-P energy: -72.871 bonds (distance) P-C4' energy: -67.768 flat angles C4'-P-C4' energy: -78.807 flat angles P-C4'-P energy: -50.312 tors. eta vs tors. theta energy: -104.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1105.550431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.550431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.550431 (E_RNA) where: Base-Base interactions energy: -741.407 where: short stacking energy: -360.685 Base-Backbone interact. energy: -1.658 local terms energy: -362.485402 where: bonds (distance) C4'-P energy: -73.842 bonds (distance) P-C4' energy: -70.876 flat angles C4'-P-C4' energy: -71.101 flat angles P-C4'-P energy: -45.709 tors. eta vs tors. theta energy: -100.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1036.916553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.916553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.916553 (E_RNA) where: Base-Base interactions energy: -672.284 where: short stacking energy: -335.384 Base-Backbone interact. energy: -0.606 local terms energy: -364.027011 where: bonds (distance) C4'-P energy: -69.135 bonds (distance) P-C4' energy: -72.621 flat angles C4'-P-C4' energy: -77.440 flat angles P-C4'-P energy: -46.100 tors. eta vs tors. theta energy: -98.731 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: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1018.783707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.783707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.783707 (E_RNA) where: Base-Base interactions energy: -668.682 where: short stacking energy: -329.627 Base-Backbone interact. energy: -0.466 local terms energy: -349.635515 where: bonds (distance) C4'-P energy: -63.535 bonds (distance) P-C4' energy: -75.787 flat angles C4'-P-C4' energy: -66.693 flat angles P-C4'-P energy: -49.501 tors. eta vs tors. theta energy: -94.120 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: 123 Temperature: 1.100000 Total energy: -860.915112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.915112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.915112 (E_RNA) where: Base-Base interactions energy: -549.049 where: short stacking energy: -276.004 Base-Backbone interact. energy: -0.353 local terms energy: -311.513126 where: bonds (distance) C4'-P energy: -55.256 bonds (distance) P-C4' energy: -74.158 flat angles C4'-P-C4' energy: -66.133 flat angles P-C4'-P energy: -44.328 tors. eta vs tors. theta energy: -71.638 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: 8 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -746.016201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.016201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.016201 (E_RNA) where: Base-Base interactions energy: -481.473 where: short stacking energy: -208.702 Base-Backbone interact. energy: -0.881 local terms energy: -263.662137 where: bonds (distance) C4'-P energy: -62.265 bonds (distance) P-C4' energy: -52.527 flat angles C4'-P-C4' energy: -59.332 flat angles P-C4'-P energy: -47.203 tors. eta vs tors. theta energy: -42.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -535.266863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.266863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.266863 (E_RNA) where: Base-Base interactions energy: -303.673 where: short stacking energy: -154.089 Base-Backbone interact. energy: -0.565 local terms energy: -231.028722 where: bonds (distance) C4'-P energy: -65.543 bonds (distance) P-C4' energy: -62.898 flat angles C4'-P-C4' energy: -56.218 flat angles P-C4'-P energy: -21.028 tors. eta vs tors. theta energy: -25.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -647.330374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.330374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.330374 (E_RNA) where: Base-Base interactions energy: -391.820 where: short stacking energy: -200.566 Base-Backbone interact. energy: 1.026 local terms energy: -256.536496 where: bonds (distance) C4'-P energy: -62.164 bonds (distance) P-C4' energy: -72.156 flat angles C4'-P-C4' energy: -59.881 flat angles P-C4'-P energy: -24.241 tors. eta vs tors. theta energy: -38.095 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: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -369.152266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.152266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.152266 (E_RNA) where: Base-Base interactions energy: -167.169 where: short stacking energy: -92.613 Base-Backbone interact. energy: -1.398 local terms energy: -200.585929 where: bonds (distance) C4'-P energy: -51.664 bonds (distance) P-C4' energy: -57.774 flat angles C4'-P-C4' energy: -54.611 flat angles P-C4'-P energy: -24.715 tors. eta vs tors. theta energy: -11.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -319.555071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.555071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.555071 (E_RNA) where: Base-Base interactions energy: -126.721 where: short stacking energy: -94.334 Base-Backbone interact. energy: -1.336 local terms energy: -191.497834 where: bonds (distance) C4'-P energy: -53.255 bonds (distance) P-C4' energy: -63.974 flat angles C4'-P-C4' energy: -52.702 flat angles P-C4'-P energy: -17.387 tors. eta vs tors. theta energy: -4.179 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: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1180.010000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.010000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.010000 (E_RNA) where: Base-Base interactions energy: -790.630 where: short stacking energy: -362.738 Base-Backbone interact. energy: -1.029 local terms energy: -388.350429 where: bonds (distance) C4'-P energy: -70.508 bonds (distance) P-C4' energy: -79.428 flat angles C4'-P-C4' energy: -78.158 flat angles P-C4'-P energy: -52.613 tors. eta vs tors. theta energy: -107.645 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: 124 Temperature: 0.950000 Total energy: -1110.524027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.524027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.524027 (E_RNA) where: Base-Base interactions energy: -757.641 where: short stacking energy: -353.718 Base-Backbone interact. energy: -0.125 local terms energy: -352.758071 where: bonds (distance) C4'-P energy: -70.126 bonds (distance) P-C4' energy: -54.271 flat angles C4'-P-C4' energy: -76.905 flat angles P-C4'-P energy: -46.383 tors. eta vs tors. theta energy: -105.073 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: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1043.064682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.064682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.064682 (E_RNA) where: Base-Base interactions energy: -686.591 where: short stacking energy: -345.070 Base-Backbone interact. energy: -1.245 local terms energy: -355.228692 where: bonds (distance) C4'-P energy: -52.793 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -79.909 flat angles P-C4'-P energy: -50.446 tors. eta vs tors. theta energy: -101.837 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: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -986.826043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.826043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.826043 (E_RNA) where: Base-Base interactions energy: -647.862 where: short stacking energy: -304.853 Base-Backbone interact. energy: -1.130 local terms energy: -337.834077 where: bonds (distance) C4'-P energy: -66.333 bonds (distance) P-C4' energy: -73.934 flat angles C4'-P-C4' energy: -77.563 flat angles P-C4'-P energy: -37.357 tors. eta vs tors. theta energy: -82.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -893.533647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.533647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.533647 (E_RNA) where: Base-Base interactions energy: -568.683 where: short stacking energy: -273.662 Base-Backbone interact. energy: -1.569 local terms energy: -323.281491 where: bonds (distance) C4'-P energy: -67.174 bonds (distance) P-C4' energy: -65.605 flat angles C4'-P-C4' energy: -69.570 flat angles P-C4'-P energy: -49.599 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: 6, replica: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -819.303545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.303545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.303545 (E_RNA) where: Base-Base interactions energy: -537.289 where: short stacking energy: -230.961 Base-Backbone interact. energy: -1.408 local terms energy: -280.605960 where: bonds (distance) C4'-P energy: -65.446 bonds (distance) P-C4' energy: -57.430 flat angles C4'-P-C4' energy: -65.248 flat angles P-C4'-P energy: -43.808 tors. eta vs tors. theta energy: -48.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -719.435144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.435144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.435144 (E_RNA) where: Base-Base interactions energy: -435.034 where: short stacking energy: -219.732 Base-Backbone interact. energy: -1.126 local terms energy: -283.274344 where: bonds (distance) C4'-P energy: -56.223 bonds (distance) P-C4' energy: -54.954 flat angles C4'-P-C4' energy: -64.787 flat angles P-C4'-P energy: -50.463 tors. eta vs tors. theta energy: -56.847 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: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -522.418341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.418341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.418341 (E_RNA) where: Base-Base interactions energy: -301.868 where: short stacking energy: -143.994 Base-Backbone interact. energy: -2.476 local terms energy: -218.073945 where: bonds (distance) C4'-P energy: -44.153 bonds (distance) P-C4' energy: -52.465 flat angles C4'-P-C4' energy: -66.295 flat angles P-C4'-P energy: -37.868 tors. eta vs tors. theta energy: -17.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -375.906323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.906323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.906323 (E_RNA) where: Base-Base interactions energy: -164.533 where: short stacking energy: -99.436 Base-Backbone interact. energy: 0.147 local terms energy: -211.520323 where: bonds (distance) C4'-P energy: -55.311 bonds (distance) P-C4' energy: -57.114 flat angles C4'-P-C4' energy: -54.163 flat angles P-C4'-P energy: -34.181 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: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -292.150358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.150358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.150358 (E_RNA) where: Base-Base interactions energy: -108.806 where: short stacking energy: -97.213 Base-Backbone interact. energy: -0.292 local terms energy: -183.051984 where: bonds (distance) C4'-P energy: -51.018 bonds (distance) P-C4' energy: -55.914 flat angles C4'-P-C4' energy: -48.208 flat angles P-C4'-P energy: -27.520 tors. eta vs tors. theta energy: -0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1163.668849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.668849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.668849 (E_RNA) where: Base-Base interactions energy: -788.778 where: short stacking energy: -362.827 Base-Backbone interact. energy: -0.805 local terms energy: -374.086492 where: bonds (distance) C4'-P energy: -65.779 bonds (distance) P-C4' energy: -75.125 flat angles C4'-P-C4' energy: -73.934 flat angles P-C4'-P energy: -53.510 tors. eta vs tors. theta energy: -105.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1112.452733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.452733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.452733 (E_RNA) where: Base-Base interactions energy: -732.171 where: short stacking energy: -345.053 Base-Backbone interact. energy: -0.430 local terms energy: -379.852025 where: bonds (distance) C4'-P energy: -75.671 bonds (distance) P-C4' energy: -73.054 flat angles C4'-P-C4' energy: -73.174 flat angles P-C4'-P energy: -50.867 tors. eta vs tors. theta energy: -107.086 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: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1055.471375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.471375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.471375 (E_RNA) where: Base-Base interactions energy: -702.672 where: short stacking energy: -332.787 Base-Backbone interact. energy: -1.925 local terms energy: -350.874275 where: bonds (distance) C4'-P energy: -67.018 bonds (distance) P-C4' energy: -68.178 flat angles C4'-P-C4' energy: -74.428 flat angles P-C4'-P energy: -49.283 tors. eta vs tors. theta energy: -91.968 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: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -971.197278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.197278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.197278 (E_RNA) where: Base-Base interactions energy: -648.833 where: short stacking energy: -317.940 Base-Backbone interact. energy: -0.247 local terms energy: -322.117945 where: bonds (distance) C4'-P energy: -59.952 bonds (distance) P-C4' energy: -60.017 flat angles C4'-P-C4' energy: -68.023 flat angles P-C4'-P energy: -37.169 tors. eta vs tors. theta energy: -96.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -877.135400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.135400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.135400 (E_RNA) where: Base-Base interactions energy: -576.673 where: short stacking energy: -274.907 Base-Backbone interact. energy: -0.351 local terms energy: -300.111595 where: bonds (distance) C4'-P energy: -54.635 bonds (distance) P-C4' energy: -70.520 flat angles C4'-P-C4' energy: -72.832 flat angles P-C4'-P energy: -34.205 tors. eta vs tors. theta energy: -67.919 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: 125 Temperature: 1.150000 Total energy: -790.872123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.872123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.872123 (E_RNA) where: Base-Base interactions energy: -506.976 where: short stacking energy: -228.276 Base-Backbone interact. energy: -1.595 local terms energy: -282.300982 where: bonds (distance) C4'-P energy: -61.219 bonds (distance) P-C4' energy: -79.429 flat angles C4'-P-C4' energy: -56.172 flat angles P-C4'-P energy: -45.515 tors. eta vs tors. theta energy: -39.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -675.185153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.185153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.185153 (E_RNA) where: Base-Base interactions energy: -382.965 where: short stacking energy: -219.304 Base-Backbone interact. energy: -1.008 local terms energy: -291.211871 where: bonds (distance) C4'-P energy: -63.392 bonds (distance) P-C4' energy: -59.286 flat angles C4'-P-C4' energy: -67.901 flat angles P-C4'-P energy: -51.063 tors. eta vs tors. theta energy: -49.571 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: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -512.103817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.103817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.103817 (E_RNA) where: Base-Base interactions energy: -283.153 where: short stacking energy: -142.014 Base-Backbone interact. energy: -1.146 local terms energy: -227.804603 where: bonds (distance) C4'-P energy: -56.914 bonds (distance) P-C4' energy: -58.560 flat angles C4'-P-C4' energy: -58.251 flat angles P-C4'-P energy: -37.889 tors. eta vs tors. theta energy: -16.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -412.244786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.244786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.244786 (E_RNA) where: Base-Base interactions energy: -200.550 where: short stacking energy: -130.042 Base-Backbone interact. energy: 4.787 local terms energy: -216.482446 where: bonds (distance) C4'-P energy: -63.627 bonds (distance) P-C4' energy: -47.361 flat angles C4'-P-C4' energy: -59.993 flat angles P-C4'-P energy: -34.535 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: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -303.563170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.563170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.563170 (E_RNA) where: Base-Base interactions energy: -111.887 where: short stacking energy: -101.163 Base-Backbone interact. energy: -0.832 local terms energy: -190.843511 where: bonds (distance) C4'-P energy: -52.191 bonds (distance) P-C4' energy: -53.295 flat angles C4'-P-C4' energy: -46.967 flat angles P-C4'-P energy: -33.121 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: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1156.348012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.348012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.348012 (E_RNA) where: Base-Base interactions energy: -780.072 where: short stacking energy: -350.936 Base-Backbone interact. energy: -1.367 local terms energy: -374.909539 where: bonds (distance) C4'-P energy: -67.198 bonds (distance) P-C4' energy: -68.753 flat angles C4'-P-C4' energy: -78.506 flat angles P-C4'-P energy: -61.440 tors. eta vs tors. theta energy: -99.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1141.584946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.584946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.584946 (E_RNA) where: Base-Base interactions energy: -801.597 where: short stacking energy: -360.759 Base-Backbone interact. energy: -0.984 local terms energy: -339.004175 where: bonds (distance) C4'-P energy: -62.631 bonds (distance) P-C4' energy: -63.423 flat angles C4'-P-C4' energy: -71.314 flat angles P-C4'-P energy: -42.902 tors. eta vs tors. theta energy: -98.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1038.696028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.696028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.696028 (E_RNA) where: Base-Base interactions energy: -691.112 where: short stacking energy: -327.446 Base-Backbone interact. energy: -0.155 local terms energy: -347.429086 where: bonds (distance) C4'-P energy: -54.822 bonds (distance) P-C4' energy: -69.852 flat angles C4'-P-C4' energy: -82.288 flat angles P-C4'-P energy: -49.601 tors. eta vs tors. theta energy: -90.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -951.174712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.174712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.174712 (E_RNA) where: Base-Base interactions energy: -619.580 where: short stacking energy: -289.534 Base-Backbone interact. energy: -0.753 local terms energy: -330.841450 where: bonds (distance) C4'-P energy: -62.162 bonds (distance) P-C4' energy: -62.468 flat angles C4'-P-C4' energy: -70.763 flat angles P-C4'-P energy: -49.510 tors. eta vs tors. theta energy: -85.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -855.464946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.464946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.464946 (E_RNA) where: Base-Base interactions energy: -545.049 where: short stacking energy: -255.954 Base-Backbone interact. energy: -0.960 local terms energy: -309.455774 where: bonds (distance) C4'-P energy: -65.819 bonds (distance) P-C4' energy: -61.560 flat angles C4'-P-C4' energy: -70.275 flat angles P-C4'-P energy: -44.207 tors. eta vs tors. theta energy: -67.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -793.927179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.927179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.927179 (E_RNA) where: Base-Base interactions energy: -513.330 where: short stacking energy: -247.428 Base-Backbone interact. energy: -1.840 local terms energy: -278.757444 where: bonds (distance) C4'-P energy: -45.352 bonds (distance) P-C4' energy: -65.176 flat angles C4'-P-C4' energy: -56.206 flat angles P-C4'-P energy: -46.805 tors. eta vs tors. theta energy: -65.219 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: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -671.235136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.235136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.235136 (E_RNA) where: Base-Base interactions energy: -392.825 where: short stacking energy: -216.040 Base-Backbone interact. energy: -1.584 local terms energy: -276.825653 where: bonds (distance) C4'-P energy: -61.640 bonds (distance) P-C4' energy: -70.178 flat angles C4'-P-C4' energy: -58.526 flat angles P-C4'-P energy: -37.286 tors. eta vs tors. theta energy: -49.195 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: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -533.485860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.485860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.485860 (E_RNA) where: Base-Base interactions energy: -314.624 where: short stacking energy: -149.051 Base-Backbone interact. energy: 2.029 local terms energy: -220.890855 where: bonds (distance) C4'-P energy: -56.802 bonds (distance) P-C4' energy: -58.504 flat angles C4'-P-C4' energy: -54.956 flat angles P-C4'-P energy: -27.462 tors. eta vs tors. theta energy: -23.167 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: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -371.846189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.846189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.846189 (E_RNA) where: Base-Base interactions energy: -185.534 where: short stacking energy: -111.827 Base-Backbone interact. energy: -1.350 local terms energy: -184.962249 where: bonds (distance) C4'-P energy: -54.965 bonds (distance) P-C4' energy: -55.903 flat angles C4'-P-C4' energy: -52.942 flat angles P-C4'-P energy: -30.734 tors. eta vs tors. theta energy: 9.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -306.423437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.423437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.423437 (E_RNA) where: Base-Base interactions energy: -121.702 where: short stacking energy: -91.845 Base-Backbone interact. energy: 0.143 local terms energy: -184.864484 where: bonds (distance) C4'-P energy: -52.578 bonds (distance) P-C4' energy: -41.715 flat angles C4'-P-C4' energy: -46.773 flat angles P-C4'-P energy: -43.907 tors. eta vs tors. theta energy: 0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1154.646141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.646141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.646141 (E_RNA) where: Base-Base interactions energy: -769.494 where: short stacking energy: -364.738 Base-Backbone interact. energy: -1.365 local terms energy: -383.787488 where: bonds (distance) C4'-P energy: -71.632 bonds (distance) P-C4' energy: -73.142 flat angles C4'-P-C4' energy: -79.195 flat angles P-C4'-P energy: -56.118 tors. eta vs tors. theta energy: -103.701 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: 2, replica: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1124.277990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.277990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.277990 (E_RNA) where: Base-Base interactions energy: -766.858 where: short stacking energy: -349.042 Base-Backbone interact. energy: -0.523 local terms energy: -356.896509 where: bonds (distance) C4'-P energy: -65.467 bonds (distance) P-C4' energy: -65.015 flat angles C4'-P-C4' energy: -77.230 flat angles P-C4'-P energy: -44.509 tors. eta vs tors. theta energy: -104.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1031.748048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.748048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.748048 (E_RNA) where: Base-Base interactions energy: -673.904 where: short stacking energy: -320.875 Base-Backbone interact. energy: -0.159 local terms energy: -357.684190 where: bonds (distance) C4'-P energy: -66.777 bonds (distance) P-C4' energy: -71.264 flat angles C4'-P-C4' energy: -72.823 flat angles P-C4'-P energy: -51.245 tors. eta vs tors. theta energy: -95.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -956.923226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.923226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.923226 (E_RNA) where: Base-Base interactions energy: -626.683 where: short stacking energy: -303.477 Base-Backbone interact. energy: -0.902 local terms energy: -329.337856 where: bonds (distance) C4'-P energy: -60.797 bonds (distance) P-C4' energy: -69.037 flat angles C4'-P-C4' energy: -75.611 flat angles P-C4'-P energy: -43.376 tors. eta vs tors. theta energy: -80.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -824.773408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.773408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.773408 (E_RNA) where: Base-Base interactions energy: -533.006 where: short stacking energy: -263.428 Base-Backbone interact. energy: -1.370 local terms energy: -290.397396 where: bonds (distance) C4'-P energy: -56.536 bonds (distance) P-C4' energy: -70.666 flat angles C4'-P-C4' energy: -62.010 flat angles P-C4'-P energy: -41.650 tors. eta vs tors. theta energy: -59.535 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: 127 Temperature: 1.150000 Total energy: -769.075534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.075534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.075534 (E_RNA) where: Base-Base interactions energy: -482.252 where: short stacking energy: -219.677 Base-Backbone interact. energy: 2.075 local terms energy: -288.898954 where: bonds (distance) C4'-P energy: -60.807 bonds (distance) P-C4' energy: -76.241 flat angles C4'-P-C4' energy: -64.127 flat angles P-C4'-P energy: -36.627 tors. eta vs tors. theta energy: -51.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -695.929825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.929825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.929825 (E_RNA) where: Base-Base interactions energy: -418.461 where: short stacking energy: -195.110 Base-Backbone interact. energy: 0.246 local terms energy: -277.715314 where: bonds (distance) C4'-P energy: -63.624 bonds (distance) P-C4' energy: -62.261 flat angles C4'-P-C4' energy: -65.110 flat angles P-C4'-P energy: -32.671 tors. eta vs tors. theta energy: -54.051 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: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -582.649795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.649795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.649795 (E_RNA) where: Base-Base interactions energy: -332.048 where: short stacking energy: -169.403 Base-Backbone interact. energy: 1.181 local terms energy: -251.782512 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -65.535 flat angles C4'-P-C4' energy: -45.440 flat angles P-C4'-P energy: -48.241 tors. eta vs tors. theta energy: -33.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -395.664515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.664515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.664515 (E_RNA) where: Base-Base interactions energy: -175.234 where: short stacking energy: -124.326 Base-Backbone interact. energy: -3.731 local terms energy: -216.698939 where: bonds (distance) C4'-P energy: -65.314 bonds (distance) P-C4' energy: -57.160 flat angles C4'-P-C4' energy: -56.662 flat angles P-C4'-P energy: -31.135 tors. eta vs tors. theta energy: -6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -315.125948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.125948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.125948 (E_RNA) where: Base-Base interactions energy: -120.683 where: short stacking energy: -79.965 Base-Backbone interact. energy: 1.567 local terms energy: -196.010576 where: bonds (distance) C4'-P energy: -61.192 bonds (distance) P-C4' energy: -58.701 flat angles C4'-P-C4' energy: -39.997 flat angles P-C4'-P energy: -42.072 tors. eta vs tors. theta energy: 5.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1166.438164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.438164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.438164 (E_RNA) where: Base-Base interactions energy: -790.653 where: short stacking energy: -343.936 Base-Backbone interact. energy: -0.386 local terms energy: -375.399281 where: bonds (distance) C4'-P energy: -76.504 bonds (distance) P-C4' energy: -71.397 flat angles C4'-P-C4' energy: -78.778 flat angles P-C4'-P energy: -49.315 tors. eta vs tors. theta energy: -99.405 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: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1143.769599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.769599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.769599 (E_RNA) where: Base-Base interactions energy: -775.043 where: short stacking energy: -353.385 Base-Backbone interact. energy: -0.844 local terms energy: -367.882018 where: bonds (distance) C4'-P energy: -68.043 bonds (distance) P-C4' energy: -66.867 flat angles C4'-P-C4' energy: -78.407 flat angles P-C4'-P energy: -49.857 tors. eta vs tors. theta energy: -104.709 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: 2 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1041.634804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.634804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.634804 (E_RNA) where: Base-Base interactions energy: -687.221 where: short stacking energy: -329.257 Base-Backbone interact. energy: -0.985 local terms energy: -353.428379 where: bonds (distance) C4'-P energy: -70.011 bonds (distance) P-C4' energy: -70.003 flat angles C4'-P-C4' energy: -74.386 flat angles P-C4'-P energy: -49.422 tors. eta vs tors. theta energy: -89.606 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: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -961.244279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.244279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.244279 (E_RNA) where: Base-Base interactions energy: -621.665 where: short stacking energy: -301.285 Base-Backbone interact. energy: -1.931 local terms energy: -337.647981 where: bonds (distance) C4'-P energy: -62.150 bonds (distance) P-C4' energy: -69.410 flat angles C4'-P-C4' energy: -69.993 flat angles P-C4'-P energy: -47.153 tors. eta vs tors. theta energy: -88.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -893.962748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.962748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.962748 (E_RNA) where: Base-Base interactions energy: -578.208 where: short stacking energy: -293.596 Base-Backbone interact. energy: -0.807 local terms energy: -314.947292 where: bonds (distance) C4'-P energy: -64.767 bonds (distance) P-C4' energy: -63.404 flat angles C4'-P-C4' energy: -73.450 flat angles P-C4'-P energy: -44.022 tors. eta vs tors. theta energy: -69.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -777.932359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.932359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.932359 (E_RNA) where: Base-Base interactions energy: -491.636 where: short stacking energy: -231.102 Base-Backbone interact. energy: -1.348 local terms energy: -284.948536 where: bonds (distance) C4'-P energy: -68.037 bonds (distance) P-C4' energy: -59.499 flat angles C4'-P-C4' energy: -70.421 flat angles P-C4'-P energy: -39.715 tors. eta vs tors. theta energy: -47.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -652.951411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.951411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.951411 (E_RNA) where: Base-Base interactions energy: -399.819 where: short stacking energy: -222.542 Base-Backbone interact. energy: -0.172 local terms energy: -252.959854 where: bonds (distance) C4'-P energy: -54.288 bonds (distance) P-C4' energy: -59.654 flat angles C4'-P-C4' energy: -62.473 flat angles P-C4'-P energy: -38.102 tors. eta vs tors. theta energy: -38.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -593.327278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.327278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.327278 (E_RNA) where: Base-Base interactions energy: -338.508 where: short stacking energy: -184.526 Base-Backbone interact. energy: -0.885 local terms energy: -253.934929 where: bonds (distance) C4'-P energy: -67.172 bonds (distance) P-C4' energy: -62.705 flat angles C4'-P-C4' energy: -47.785 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: -36.917 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: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -363.085361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.085361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.085361 (E_RNA) where: Base-Base interactions energy: -145.354 where: short stacking energy: -91.585 Base-Backbone interact. energy: -0.773 local terms energy: -216.957969 where: bonds (distance) C4'-P energy: -66.768 bonds (distance) P-C4' energy: -71.657 flat angles C4'-P-C4' energy: -50.024 flat angles P-C4'-P energy: -28.435 tors. eta vs tors. theta energy: -0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -270.896065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.896065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.896065 (E_RNA) where: Base-Base interactions energy: -87.035 where: short stacking energy: -70.175 Base-Backbone interact. energy: -1.198 local terms energy: -182.662386 where: bonds (distance) C4'-P energy: -53.166 bonds (distance) P-C4' energy: -63.137 flat angles C4'-P-C4' energy: -47.975 flat angles P-C4'-P energy: -26.286 tors. eta vs tors. theta energy: 7.903 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: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1141.099381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.099381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.099381 (E_RNA) where: Base-Base interactions energy: -776.649 where: short stacking energy: -347.974 Base-Backbone interact. energy: -2.140 local terms energy: -362.310593 where: bonds (distance) C4'-P energy: -74.068 bonds (distance) P-C4' energy: -69.468 flat angles C4'-P-C4' energy: -71.926 flat angles P-C4'-P energy: -42.961 tors. eta vs tors. theta energy: -103.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1145.204875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.204875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.204875 (E_RNA) where: Base-Base interactions energy: -768.438 where: short stacking energy: -358.188 Base-Backbone interact. energy: -0.632 local terms energy: -376.135153 where: bonds (distance) C4'-P energy: -69.425 bonds (distance) P-C4' energy: -63.767 flat angles C4'-P-C4' energy: -81.103 flat angles P-C4'-P energy: -54.726 tors. eta vs tors. theta energy: -107.115 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: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1027.122798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.122798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.122798 (E_RNA) where: Base-Base interactions energy: -677.444 where: short stacking energy: -326.826 Base-Backbone interact. energy: 0.532 local terms energy: -350.210591 where: bonds (distance) C4'-P energy: -57.816 bonds (distance) P-C4' energy: -66.607 flat angles C4'-P-C4' energy: -78.153 flat angles P-C4'-P energy: -48.807 tors. eta vs tors. theta energy: -98.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -952.786403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.786403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.786403 (E_RNA) where: Base-Base interactions energy: -638.608 where: short stacking energy: -306.292 Base-Backbone interact. energy: 1.661 local terms energy: -315.838910 where: bonds (distance) C4'-P energy: -62.303 bonds (distance) P-C4' energy: -60.993 flat angles C4'-P-C4' energy: -73.345 flat angles P-C4'-P energy: -35.065 tors. eta vs tors. theta energy: -84.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -876.004260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.004260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.004260 (E_RNA) where: Base-Base interactions energy: -560.250 where: short stacking energy: -268.843 Base-Backbone interact. energy: -1.188 local terms energy: -314.567087 where: bonds (distance) C4'-P energy: -57.426 bonds (distance) P-C4' energy: -65.449 flat angles C4'-P-C4' energy: -75.560 flat angles P-C4'-P energy: -42.797 tors. eta vs tors. theta energy: -73.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -663.622633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.622633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.622633 (E_RNA) where: Base-Base interactions energy: -399.032 where: short stacking energy: -197.018 Base-Backbone interact. energy: 1.572 local terms energy: -266.163013 where: bonds (distance) C4'-P energy: -59.262 bonds (distance) P-C4' energy: -61.979 flat angles C4'-P-C4' energy: -67.072 flat angles P-C4'-P energy: -40.494 tors. eta vs tors. theta energy: -37.356 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: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -748.716855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.716855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.716855 (E_RNA) where: Base-Base interactions energy: -482.498 where: short stacking energy: -213.555 Base-Backbone interact. energy: -0.305 local terms energy: -265.913802 where: bonds (distance) C4'-P energy: -41.771 bonds (distance) P-C4' energy: -76.684 flat angles C4'-P-C4' energy: -63.563 flat angles P-C4'-P energy: -42.636 tors. eta vs tors. theta energy: -41.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -553.418147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.418147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.418147 (E_RNA) where: Base-Base interactions energy: -312.073 where: short stacking energy: -156.260 Base-Backbone interact. energy: 2.620 local terms energy: -243.965574 where: bonds (distance) C4'-P energy: -67.162 bonds (distance) P-C4' energy: -63.138 flat angles C4'-P-C4' energy: -48.538 flat angles P-C4'-P energy: -31.149 tors. eta vs tors. theta energy: -33.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -334.073714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.073714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.073714 (E_RNA) where: Base-Base interactions energy: -138.733 where: short stacking energy: -110.298 Base-Backbone interact. energy: 0.410 local terms energy: -195.750716 where: bonds (distance) C4'-P energy: -56.722 bonds (distance) P-C4' energy: -50.609 flat angles C4'-P-C4' energy: -60.471 flat angles P-C4'-P energy: -28.543 tors. eta vs tors. theta energy: 0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -306.841725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.841725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.841725 (E_RNA) where: Base-Base interactions energy: -88.323 where: short stacking energy: -82.128 Base-Backbone interact. energy: 3.460 local terms energy: -221.978224 where: bonds (distance) C4'-P energy: -58.827 bonds (distance) P-C4' energy: -65.623 flat angles C4'-P-C4' energy: -61.451 flat angles P-C4'-P energy: -31.572 tors. eta vs tors. theta energy: -4.505 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: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1154.619736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.619736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.619736 (E_RNA) where: Base-Base interactions energy: -779.507 where: short stacking energy: -361.855 Base-Backbone interact. energy: 2.302 local terms energy: -377.414806 where: bonds (distance) C4'-P energy: -71.400 bonds (distance) P-C4' energy: -64.279 flat angles C4'-P-C4' energy: -74.811 flat angles P-C4'-P energy: -60.710 tors. eta vs tors. theta energy: -106.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1114.484226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.484226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.484226 (E_RNA) where: Base-Base interactions energy: -754.581 where: short stacking energy: -338.268 Base-Backbone interact. energy: -0.410 local terms energy: -359.492640 where: bonds (distance) C4'-P energy: -71.513 bonds (distance) P-C4' energy: -70.722 flat angles C4'-P-C4' energy: -75.264 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: -95.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1034.226816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.226816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.226816 (E_RNA) where: Base-Base interactions energy: -681.306 where: short stacking energy: -337.652 Base-Backbone interact. energy: -1.426 local terms energy: -351.494877 where: bonds (distance) C4'-P energy: -63.479 bonds (distance) P-C4' energy: -71.341 flat angles C4'-P-C4' energy: -71.766 flat angles P-C4'-P energy: -45.198 tors. eta vs tors. theta energy: -99.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -960.557213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.557213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.557213 (E_RNA) where: Base-Base interactions energy: -622.954 where: short stacking energy: -297.540 Base-Backbone interact. energy: -1.001 local terms energy: -336.602343 where: bonds (distance) C4'-P energy: -69.708 bonds (distance) P-C4' energy: -70.728 flat angles C4'-P-C4' energy: -71.058 flat angles P-C4'-P energy: -43.589 tors. eta vs tors. theta energy: -81.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -849.851503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.851503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.851503 (E_RNA) where: Base-Base interactions energy: -546.967 where: short stacking energy: -266.805 Base-Backbone interact. energy: -0.719 local terms energy: -302.165893 where: bonds (distance) C4'-P energy: -46.367 bonds (distance) P-C4' energy: -65.036 flat angles C4'-P-C4' energy: -62.792 flat angles P-C4'-P energy: -57.309 tors. eta vs tors. theta energy: -70.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -688.622215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.622215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.622215 (E_RNA) where: Base-Base interactions energy: -421.161 where: short stacking energy: -226.079 Base-Backbone interact. energy: -0.499 local terms energy: -266.962703 where: bonds (distance) C4'-P energy: -54.052 bonds (distance) P-C4' energy: -58.427 flat angles C4'-P-C4' energy: -59.439 flat angles P-C4'-P energy: -41.832 tors. eta vs tors. theta energy: -53.212 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: 8 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -745.011006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.011006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.011006 (E_RNA) where: Base-Base interactions energy: -492.412 where: short stacking energy: -212.352 Base-Backbone interact. energy: -1.051 local terms energy: -251.547525 where: bonds (distance) C4'-P energy: -39.712 bonds (distance) P-C4' energy: -67.487 flat angles C4'-P-C4' energy: -66.984 flat angles P-C4'-P energy: -34.627 tors. eta vs tors. theta energy: -42.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -563.960328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.960328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.960328 (E_RNA) where: Base-Base interactions energy: -322.433 where: short stacking energy: -184.639 Base-Backbone interact. energy: -1.801 local terms energy: -239.726359 where: bonds (distance) C4'-P energy: -60.086 bonds (distance) P-C4' energy: -56.458 flat angles C4'-P-C4' energy: -45.942 flat angles P-C4'-P energy: -32.999 tors. eta vs tors. theta energy: -44.241 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: 9, replica: 9 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -303.388734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.388734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.388734 (E_RNA) where: Base-Base interactions energy: -95.502 where: short stacking energy: -84.545 Base-Backbone interact. energy: 0.340 local terms energy: -208.226006 where: bonds (distance) C4'-P energy: -60.631 bonds (distance) P-C4' energy: -62.511 flat angles C4'-P-C4' energy: -50.941 flat angles P-C4'-P energy: -37.882 tors. eta vs tors. theta energy: 3.739 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: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -285.312634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.312634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.312634 (E_RNA) where: Base-Base interactions energy: -99.985 where: short stacking energy: -75.225 Base-Backbone interact. energy: -1.640 local terms energy: -183.687544 where: bonds (distance) C4'-P energy: -51.965 bonds (distance) P-C4' energy: -61.315 flat angles C4'-P-C4' energy: -52.981 flat angles P-C4'-P energy: -23.682 tors. eta vs tors. theta energy: 6.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1139.150061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.150061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.150061 (E_RNA) where: Base-Base interactions energy: -776.451 where: short stacking energy: -351.978 Base-Backbone interact. energy: -0.174 local terms energy: -362.525145 where: bonds (distance) C4'-P energy: -71.034 bonds (distance) P-C4' energy: -74.043 flat angles C4'-P-C4' energy: -80.098 flat angles P-C4'-P energy: -49.893 tors. eta vs tors. theta energy: -87.457 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: 2, replica: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1091.035922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.035922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.035922 (E_RNA) where: Base-Base interactions energy: -731.937 where: short stacking energy: -338.992 Base-Backbone interact. energy: -1.697 local terms energy: -357.401609 where: bonds (distance) C4'-P energy: -71.256 bonds (distance) P-C4' energy: -63.663 flat angles C4'-P-C4' energy: -72.793 flat angles P-C4'-P energy: -52.161 tors. eta vs tors. theta energy: -97.529 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: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1049.078665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.078665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.078665 (E_RNA) where: Base-Base interactions energy: -719.026 where: short stacking energy: -359.544 Base-Backbone interact. energy: 0.122 local terms energy: -330.175388 where: bonds (distance) C4'-P energy: -57.119 bonds (distance) P-C4' energy: -62.250 flat angles C4'-P-C4' energy: -74.668 flat angles P-C4'-P energy: -39.509 tors. eta vs tors. theta energy: -96.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -957.108696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.108696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.108696 (E_RNA) where: Base-Base interactions energy: -636.956 where: short stacking energy: -293.829 Base-Backbone interact. energy: -0.472 local terms energy: -319.680507 where: bonds (distance) C4'-P energy: -63.536 bonds (distance) P-C4' energy: -67.191 flat angles C4'-P-C4' energy: -68.462 flat angles P-C4'-P energy: -41.816 tors. eta vs tors. theta energy: -78.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -850.515798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.515798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.515798 (E_RNA) where: Base-Base interactions energy: -560.909 where: short stacking energy: -282.646 Base-Backbone interact. energy: -0.594 local terms energy: -289.012383 where: bonds (distance) C4'-P energy: -54.925 bonds (distance) P-C4' energy: -59.811 flat angles C4'-P-C4' energy: -63.761 flat angles P-C4'-P energy: -41.597 tors. eta vs tors. theta energy: -68.919 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: 131 Temperature: 1.150000 Total energy: -771.613733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.613733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.613733 (E_RNA) where: Base-Base interactions energy: -481.817 where: short stacking energy: -214.542 Base-Backbone interact. energy: -1.125 local terms energy: -288.671527 where: bonds (distance) C4'-P energy: -59.594 bonds (distance) P-C4' energy: -67.413 flat angles C4'-P-C4' energy: -68.307 flat angles P-C4'-P energy: -46.623 tors. eta vs tors. theta energy: -46.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -676.490928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.490928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.490928 (E_RNA) where: Base-Base interactions energy: -415.458 where: short stacking energy: -215.545 Base-Backbone interact. energy: -0.311 local terms energy: -260.722164 where: bonds (distance) C4'-P energy: -68.324 bonds (distance) P-C4' energy: -56.113 flat angles C4'-P-C4' energy: -56.404 flat angles P-C4'-P energy: -30.633 tors. eta vs tors. theta energy: -49.249 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: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -538.480821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.480821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.480821 (E_RNA) where: Base-Base interactions energy: -295.594 where: short stacking energy: -157.626 Base-Backbone interact. energy: -0.166 local terms energy: -242.721097 where: bonds (distance) C4'-P energy: -60.533 bonds (distance) P-C4' energy: -63.242 flat angles C4'-P-C4' energy: -52.452 flat angles P-C4'-P energy: -31.872 tors. eta vs tors. theta energy: -34.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -322.098912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.098912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.098912 (E_RNA) where: Base-Base interactions energy: -100.561 where: short stacking energy: -95.485 Base-Backbone interact. energy: 2.157 local terms energy: -223.694953 where: bonds (distance) C4'-P energy: -64.214 bonds (distance) P-C4' energy: -63.873 flat angles C4'-P-C4' energy: -47.349 flat angles P-C4'-P energy: -42.066 tors. eta vs tors. theta energy: -6.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -269.941681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.941681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.941681 (E_RNA) where: Base-Base interactions energy: -109.442 where: short stacking energy: -91.235 Base-Backbone interact. energy: 2.452 local terms energy: -162.951784 where: bonds (distance) C4'-P energy: -39.672 bonds (distance) P-C4' energy: -48.420 flat angles C4'-P-C4' energy: -56.603 flat angles P-C4'-P energy: -29.544 tors. eta vs tors. theta energy: 11.287 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: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1151.235932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.235932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.235932 (E_RNA) where: Base-Base interactions energy: -778.627 where: short stacking energy: -359.609 Base-Backbone interact. energy: 0.639 local terms energy: -373.247921 where: bonds (distance) C4'-P energy: -70.029 bonds (distance) P-C4' energy: -75.480 flat angles C4'-P-C4' energy: -81.959 flat angles P-C4'-P energy: -42.780 tors. eta vs tors. theta energy: -103.000 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: 3 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1113.539024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.539024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.539024 (E_RNA) where: Base-Base interactions energy: -744.457 where: short stacking energy: -346.935 Base-Backbone interact. energy: -2.127 local terms energy: -366.954555 where: bonds (distance) C4'-P energy: -73.207 bonds (distance) P-C4' energy: -62.755 flat angles C4'-P-C4' energy: -72.279 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -107.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1000.002081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.002081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.002081 (E_RNA) where: Base-Base interactions energy: -651.005 where: short stacking energy: -287.634 Base-Backbone interact. energy: -0.904 local terms energy: -348.093170 where: bonds (distance) C4'-P energy: -76.719 bonds (distance) P-C4' energy: -67.936 flat angles C4'-P-C4' energy: -74.156 flat angles P-C4'-P energy: -40.441 tors. eta vs tors. theta energy: -88.841 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: 132 Temperature: 1.050000 Total energy: -1034.223897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.223897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.223897 (E_RNA) where: Base-Base interactions energy: -698.685 where: short stacking energy: -331.938 Base-Backbone interact. energy: -0.783 local terms energy: -334.755709 where: bonds (distance) C4'-P energy: -57.757 bonds (distance) P-C4' energy: -62.183 flat angles C4'-P-C4' energy: -74.625 flat angles P-C4'-P energy: -44.098 tors. eta vs tors. theta energy: -96.094 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: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -927.630793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.630793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.630793 (E_RNA) where: Base-Base interactions energy: -604.399 where: short stacking energy: -287.989 Base-Backbone interact. energy: -0.416 local terms energy: -322.815675 where: bonds (distance) C4'-P energy: -62.622 bonds (distance) P-C4' energy: -58.553 flat angles C4'-P-C4' energy: -75.213 flat angles P-C4'-P energy: -49.770 tors. eta vs tors. theta energy: -76.659 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: 132 Temperature: 1.150000 Total energy: -780.327799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.327799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.327799 (E_RNA) where: Base-Base interactions energy: -490.083 where: short stacking energy: -239.133 Base-Backbone interact. energy: 1.118 local terms energy: -291.362589 where: bonds (distance) C4'-P energy: -69.873 bonds (distance) P-C4' energy: -65.714 flat angles C4'-P-C4' energy: -61.382 flat angles P-C4'-P energy: -42.809 tors. eta vs tors. theta energy: -51.585 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: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -665.025033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.025033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.025033 (E_RNA) where: Base-Base interactions energy: -406.054 where: short stacking energy: -200.308 Base-Backbone interact. energy: 2.813 local terms energy: -261.784151 where: bonds (distance) C4'-P energy: -54.334 bonds (distance) P-C4' energy: -57.732 flat angles C4'-P-C4' energy: -66.074 flat angles P-C4'-P energy: -38.474 tors. eta vs tors. theta energy: -45.170 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: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -602.984422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.984422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.984422 (E_RNA) where: Base-Base interactions energy: -353.702 where: short stacking energy: -194.415 Base-Backbone interact. energy: -0.953 local terms energy: -248.329327 where: bonds (distance) C4'-P energy: -62.560 bonds (distance) P-C4' energy: -60.931 flat angles C4'-P-C4' energy: -56.510 flat angles P-C4'-P energy: -31.165 tors. eta vs tors. theta energy: -37.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -318.769884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.769884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.769884 (E_RNA) where: Base-Base interactions energy: -122.842 where: short stacking energy: -96.397 Base-Backbone interact. energy: 0.271 local terms energy: -196.198928 where: bonds (distance) C4'-P energy: -50.155 bonds (distance) P-C4' energy: -63.544 flat angles C4'-P-C4' energy: -47.433 flat angles P-C4'-P energy: -41.080 tors. eta vs tors. theta energy: 6.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -290.266191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.266191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.266191 (E_RNA) where: Base-Base interactions energy: -97.704 where: short stacking energy: -77.756 Base-Backbone interact. energy: 3.826 local terms energy: -196.387595 where: bonds (distance) C4'-P energy: -53.261 bonds (distance) P-C4' energy: -61.337 flat angles C4'-P-C4' energy: -47.311 flat angles P-C4'-P energy: -36.736 tors. eta vs tors. theta energy: 2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1163.486175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.486175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.486175 (E_RNA) where: Base-Base interactions energy: -788.657 where: short stacking energy: -354.983 Base-Backbone interact. energy: -0.898 local terms energy: -373.931540 where: bonds (distance) C4'-P energy: -66.840 bonds (distance) P-C4' energy: -74.163 flat angles C4'-P-C4' energy: -80.014 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: -106.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1103.740038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.740038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.740038 (E_RNA) where: Base-Base interactions energy: -735.361 where: short stacking energy: -350.973 Base-Backbone interact. energy: -1.427 local terms energy: -366.952201 where: bonds (distance) C4'-P energy: -66.204 bonds (distance) P-C4' energy: -75.692 flat angles C4'-P-C4' energy: -80.893 flat angles P-C4'-P energy: -47.738 tors. eta vs tors. theta energy: -96.424 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: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -968.616506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.616506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.616506 (E_RNA) where: Base-Base interactions energy: -621.489 where: short stacking energy: -280.346 Base-Backbone interact. energy: -1.334 local terms energy: -345.793132 where: bonds (distance) C4'-P energy: -77.772 bonds (distance) P-C4' energy: -72.498 flat angles C4'-P-C4' energy: -70.504 flat angles P-C4'-P energy: -46.588 tors. eta vs tors. theta energy: -78.432 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: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -990.533313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.533313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.533313 (E_RNA) where: Base-Base interactions energy: -663.219 where: short stacking energy: -326.299 Base-Backbone interact. energy: 1.218 local terms energy: -328.532461 where: bonds (distance) C4'-P energy: -63.912 bonds (distance) P-C4' energy: -62.021 flat angles C4'-P-C4' energy: -70.178 flat angles P-C4'-P energy: -44.107 tors. eta vs tors. theta energy: -88.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -895.845222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.845222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.845222 (E_RNA) where: Base-Base interactions energy: -602.875 where: short stacking energy: -280.510 Base-Backbone interact. energy: -0.004 local terms energy: -292.965902 where: bonds (distance) C4'-P energy: -61.095 bonds (distance) P-C4' energy: -68.149 flat angles C4'-P-C4' energy: -64.766 flat angles P-C4'-P energy: -30.752 tors. eta vs tors. theta energy: -68.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -739.653543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.653543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.653543 (E_RNA) where: Base-Base interactions energy: -448.498 where: short stacking energy: -239.038 Base-Backbone interact. energy: -0.078 local terms energy: -291.077483 where: bonds (distance) C4'-P energy: -54.656 bonds (distance) P-C4' energy: -64.731 flat angles C4'-P-C4' energy: -70.077 flat angles P-C4'-P energy: -41.953 tors. eta vs tors. theta energy: -59.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -746.421007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.421007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.421007 (E_RNA) where: Base-Base interactions energy: -477.794 where: short stacking energy: -205.536 Base-Backbone interact. energy: -2.194 local terms energy: -266.432740 where: bonds (distance) C4'-P energy: -59.111 bonds (distance) P-C4' energy: -61.048 flat angles C4'-P-C4' energy: -59.776 flat angles P-C4'-P energy: -44.155 tors. eta vs tors. theta energy: -42.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -608.120902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.120902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.120902 (E_RNA) where: Base-Base interactions energy: -345.987 where: short stacking energy: -185.670 Base-Backbone interact. energy: 0.761 local terms energy: -262.894765 where: bonds (distance) C4'-P energy: -64.065 bonds (distance) P-C4' energy: -63.934 flat angles C4'-P-C4' energy: -55.653 flat angles P-C4'-P energy: -44.403 tors. eta vs tors. theta energy: -34.841 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: 133 Temperature: 1.300000 Total energy: -312.895173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.895173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.895173 (E_RNA) where: Base-Base interactions energy: -123.277 where: short stacking energy: -71.079 Base-Backbone interact. energy: 0.111 local terms energy: -189.729349 where: bonds (distance) C4'-P energy: -52.245 bonds (distance) P-C4' energy: -57.619 flat angles C4'-P-C4' energy: -62.403 flat angles P-C4'-P energy: -32.034 tors. eta vs tors. theta energy: 14.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -271.205895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.205895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.205895 (E_RNA) where: Base-Base interactions energy: -96.869 where: short stacking energy: -92.625 Base-Backbone interact. energy: -0.630 local terms energy: -173.707023 where: bonds (distance) C4'-P energy: -52.373 bonds (distance) P-C4' energy: -59.537 flat angles C4'-P-C4' energy: -44.898 flat angles P-C4'-P energy: -24.397 tors. eta vs tors. theta energy: 7.498 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: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1125.853738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.853738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.853738 (E_RNA) where: Base-Base interactions energy: -766.280 where: short stacking energy: -362.241 Base-Backbone interact. energy: -0.540 local terms energy: -359.034213 where: bonds (distance) C4'-P energy: -61.212 bonds (distance) P-C4' energy: -67.950 flat angles C4'-P-C4' energy: -76.796 flat angles P-C4'-P energy: -55.438 tors. eta vs tors. theta energy: -97.639 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: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1140.977775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.977775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.977775 (E_RNA) where: Base-Base interactions energy: -757.497 where: short stacking energy: -351.293 Base-Backbone interact. energy: 0.255 local terms energy: -383.736139 where: bonds (distance) C4'-P energy: -73.642 bonds (distance) P-C4' energy: -65.865 flat angles C4'-P-C4' energy: -86.995 flat angles P-C4'-P energy: -56.911 tors. eta vs tors. theta energy: -100.323 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: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1019.912171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.912171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.912171 (E_RNA) where: Base-Base interactions energy: -677.017 where: short stacking energy: -318.730 Base-Backbone interact. energy: -0.351 local terms energy: -342.543860 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -59.053 flat angles C4'-P-C4' energy: -83.904 flat angles P-C4'-P energy: -48.559 tors. eta vs tors. theta energy: -91.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -933.735998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.735998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.735998 (E_RNA) where: Base-Base interactions energy: -611.265 where: short stacking energy: -297.208 Base-Backbone interact. energy: 1.528 local terms energy: -323.998617 where: bonds (distance) C4'-P energy: -57.196 bonds (distance) P-C4' energy: -67.058 flat angles C4'-P-C4' energy: -72.328 flat angles P-C4'-P energy: -41.644 tors. eta vs tors. theta energy: -85.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -865.228936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.228936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.228936 (E_RNA) where: Base-Base interactions energy: -578.862 where: short stacking energy: -251.317 Base-Backbone interact. energy: -1.569 local terms energy: -284.797516 where: bonds (distance) C4'-P energy: -56.672 bonds (distance) P-C4' energy: -60.371 flat angles C4'-P-C4' energy: -66.472 flat angles P-C4'-P energy: -46.812 tors. eta vs tors. theta energy: -54.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -747.620924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.620924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.620924 (E_RNA) where: Base-Base interactions energy: -463.853 where: short stacking energy: -234.252 Base-Backbone interact. energy: 1.271 local terms energy: -285.038686 where: bonds (distance) C4'-P energy: -63.632 bonds (distance) P-C4' energy: -59.278 flat angles C4'-P-C4' energy: -59.713 flat angles P-C4'-P energy: -50.075 tors. eta vs tors. theta energy: -52.340 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: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -749.674764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.674764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.674764 (E_RNA) where: Base-Base interactions energy: -469.946 where: short stacking energy: -225.996 Base-Backbone interact. energy: 0.099 local terms energy: -279.827503 where: bonds (distance) C4'-P energy: -62.549 bonds (distance) P-C4' energy: -56.783 flat angles C4'-P-C4' energy: -67.628 flat angles P-C4'-P energy: -34.752 tors. eta vs tors. theta energy: -58.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -569.519665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.519665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.519665 (E_RNA) where: Base-Base interactions energy: -336.771 where: short stacking energy: -161.028 Base-Backbone interact. energy: -0.946 local terms energy: -231.802374 where: bonds (distance) C4'-P energy: -48.430 bonds (distance) P-C4' energy: -71.633 flat angles C4'-P-C4' energy: -50.190 flat angles P-C4'-P energy: -33.391 tors. eta vs tors. theta energy: -28.158 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: 134 Temperature: 1.300000 Total energy: -303.587756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.587756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.587756 (E_RNA) where: Base-Base interactions energy: -103.795 where: short stacking energy: -84.864 Base-Backbone interact. energy: -0.447 local terms energy: -199.345937 where: bonds (distance) C4'-P energy: -60.483 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -45.375 flat angles P-C4'-P energy: -27.339 tors. eta vs tors. theta energy: 2.236 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: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -293.634107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.634107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.634107 (E_RNA) where: Base-Base interactions energy: -107.735 where: short stacking energy: -80.538 Base-Backbone interact. energy: -0.830 local terms energy: -185.069812 where: bonds (distance) C4'-P energy: -66.076 bonds (distance) P-C4' energy: -57.016 flat angles C4'-P-C4' energy: -44.867 flat angles P-C4'-P energy: -25.792 tors. eta vs tors. theta energy: 8.681 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: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1127.243747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.243747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.243747 (E_RNA) where: Base-Base interactions energy: -745.461 where: short stacking energy: -371.098 Base-Backbone interact. energy: 0.684 local terms energy: -382.466295 where: bonds (distance) C4'-P energy: -68.418 bonds (distance) P-C4' energy: -76.391 flat angles C4'-P-C4' energy: -80.010 flat angles P-C4'-P energy: -50.824 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: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1120.846490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.846490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.846490 (E_RNA) where: Base-Base interactions energy: -769.818 where: short stacking energy: -363.376 Base-Backbone interact. energy: 0.616 local terms energy: -351.644666 where: bonds (distance) C4'-P energy: -70.334 bonds (distance) P-C4' energy: -66.458 flat angles C4'-P-C4' energy: -75.506 flat angles P-C4'-P energy: -43.150 tors. eta vs tors. theta energy: -96.196 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: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1010.032719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.032719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.032719 (E_RNA) where: Base-Base interactions energy: -659.987 where: short stacking energy: -309.421 Base-Backbone interact. energy: 0.018 local terms energy: -350.063579 where: bonds (distance) C4'-P energy: -67.594 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -77.523 flat angles P-C4'-P energy: -43.594 tors. eta vs tors. theta energy: -93.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -961.654009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.654009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.654009 (E_RNA) where: Base-Base interactions energy: -616.105 where: short stacking energy: -296.910 Base-Backbone interact. energy: 0.278 local terms energy: -345.826768 where: bonds (distance) C4'-P energy: -62.615 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -73.438 flat angles P-C4'-P energy: -53.482 tors. eta vs tors. theta energy: -92.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -884.605217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.605217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.605217 (E_RNA) where: Base-Base interactions energy: -570.478 where: short stacking energy: -263.180 Base-Backbone interact. energy: 1.098 local terms energy: -315.225563 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -48.977 flat angles C4'-P-C4' energy: -69.729 flat angles P-C4'-P energy: -57.322 tors. eta vs tors. theta energy: -68.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -744.482025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.482025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.482025 (E_RNA) where: Base-Base interactions energy: -457.552 where: short stacking energy: -233.875 Base-Backbone interact. energy: 1.244 local terms energy: -288.174119 where: bonds (distance) C4'-P energy: -65.665 bonds (distance) P-C4' energy: -63.256 flat angles C4'-P-C4' energy: -65.537 flat angles P-C4'-P energy: -44.655 tors. eta vs tors. theta energy: -49.062 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: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -759.464958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.464958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.464958 (E_RNA) where: Base-Base interactions energy: -476.960 where: short stacking energy: -219.156 Base-Backbone interact. energy: -1.811 local terms energy: -280.694362 where: bonds (distance) C4'-P energy: -67.727 bonds (distance) P-C4' energy: -62.813 flat angles C4'-P-C4' energy: -68.801 flat angles P-C4'-P energy: -40.368 tors. eta vs tors. theta energy: -40.986 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: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -576.693068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.693068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.693068 (E_RNA) where: Base-Base interactions energy: -315.123 where: short stacking energy: -177.608 Base-Backbone interact. energy: -0.703 local terms energy: -260.867465 where: bonds (distance) C4'-P energy: -55.735 bonds (distance) P-C4' energy: -56.478 flat angles C4'-P-C4' energy: -61.911 flat angles P-C4'-P energy: -48.063 tors. eta vs tors. theta energy: -38.680 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: 135 Temperature: 1.300000 Total energy: -331.285630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.285630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.285630 (E_RNA) where: Base-Base interactions energy: -116.358 where: short stacking energy: -116.226 Base-Backbone interact. energy: -0.543 local terms energy: -214.384625 where: bonds (distance) C4'-P energy: -54.728 bonds (distance) P-C4' energy: -63.880 flat angles C4'-P-C4' energy: -40.393 flat angles P-C4'-P energy: -37.928 tors. eta vs tors. theta energy: -17.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -290.410320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.410320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.410320 (E_RNA) where: Base-Base interactions energy: -93.536 where: short stacking energy: -74.895 Base-Backbone interact. energy: -0.354 local terms energy: -196.520804 where: bonds (distance) C4'-P energy: -55.922 bonds (distance) P-C4' energy: -57.034 flat angles C4'-P-C4' energy: -47.871 flat angles P-C4'-P energy: -34.395 tors. eta vs tors. theta energy: -1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1151.148688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.148688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.148688 (E_RNA) where: Base-Base interactions energy: -792.046 where: short stacking energy: -352.307 Base-Backbone interact. energy: 0.141 local terms energy: -359.243763 where: bonds (distance) C4'-P energy: -57.771 bonds (distance) P-C4' energy: -65.370 flat angles C4'-P-C4' energy: -80.116 flat angles P-C4'-P energy: -49.171 tors. eta vs tors. theta energy: -106.815 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: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1114.065849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.065849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.065849 (E_RNA) where: Base-Base interactions energy: -759.572 where: short stacking energy: -338.057 Base-Backbone interact. energy: -1.462 local terms energy: -353.032487 where: bonds (distance) C4'-P energy: -66.769 bonds (distance) P-C4' energy: -66.005 flat angles C4'-P-C4' energy: -77.945 flat angles P-C4'-P energy: -44.396 tors. eta vs tors. theta energy: -97.918 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: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1020.419350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.419350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.419350 (E_RNA) where: Base-Base interactions energy: -680.627 where: short stacking energy: -323.984 Base-Backbone interact. energy: -1.813 local terms energy: -337.979519 where: bonds (distance) C4'-P energy: -63.744 bonds (distance) P-C4' energy: -64.390 flat angles C4'-P-C4' energy: -76.504 flat angles P-C4'-P energy: -40.355 tors. eta vs tors. theta energy: -92.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -929.364025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.364025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.364025 (E_RNA) where: Base-Base interactions energy: -601.876 where: short stacking energy: -288.951 Base-Backbone interact. energy: -0.659 local terms energy: -326.828286 where: bonds (distance) C4'-P energy: -60.416 bonds (distance) P-C4' energy: -56.886 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -48.477 tors. eta vs tors. theta energy: -83.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -912.218974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.218974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.218974 (E_RNA) where: Base-Base interactions energy: -585.067 where: short stacking energy: -286.574 Base-Backbone interact. energy: -1.032 local terms energy: -326.119391 where: bonds (distance) C4'-P energy: -73.958 bonds (distance) P-C4' energy: -62.665 flat angles C4'-P-C4' energy: -68.695 flat angles P-C4'-P energy: -44.903 tors. eta vs tors. theta energy: -75.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -742.822214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.822214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.822214 (E_RNA) where: Base-Base interactions energy: -457.255 where: short stacking energy: -232.487 Base-Backbone interact. energy: -2.575 local terms energy: -282.991505 where: bonds (distance) C4'-P energy: -56.969 bonds (distance) P-C4' energy: -61.664 flat angles C4'-P-C4' energy: -66.518 flat angles P-C4'-P energy: -48.840 tors. eta vs tors. theta energy: -49.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -752.895238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.895238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.895238 (E_RNA) where: Base-Base interactions energy: -472.354 where: short stacking energy: -232.595 Base-Backbone interact. energy: -2.250 local terms energy: -278.290969 where: bonds (distance) C4'-P energy: -54.866 bonds (distance) P-C4' energy: -59.745 flat angles C4'-P-C4' energy: -66.830 flat angles P-C4'-P energy: -40.459 tors. eta vs tors. theta energy: -56.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -549.838722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.838722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.838722 (E_RNA) where: Base-Base interactions energy: -301.561 where: short stacking energy: -173.596 Base-Backbone interact. energy: -1.619 local terms energy: -246.658962 where: bonds (distance) C4'-P energy: -59.417 bonds (distance) P-C4' energy: -64.909 flat angles C4'-P-C4' energy: -52.676 flat angles P-C4'-P energy: -39.888 tors. eta vs tors. theta energy: -29.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -312.992934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.992934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.992934 (E_RNA) where: Base-Base interactions energy: -113.410 where: short stacking energy: -111.256 Base-Backbone interact. energy: 0.278 local terms energy: -199.861099 where: bonds (distance) C4'-P energy: -55.894 bonds (distance) P-C4' energy: -54.069 flat angles C4'-P-C4' energy: -47.695 flat angles P-C4'-P energy: -36.430 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -361.093379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.093379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.093379 (E_RNA) where: Base-Base interactions energy: -165.311 where: short stacking energy: -103.130 Base-Backbone interact. energy: -0.605 local terms energy: -195.177388 where: bonds (distance) C4'-P energy: -60.290 bonds (distance) P-C4' energy: -54.760 flat angles C4'-P-C4' energy: -55.374 flat angles P-C4'-P energy: -20.716 tors. eta vs tors. theta energy: -4.038 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: 137 Temperature: 0.900000 Total energy: -1160.368327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.368327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.368327 (E_RNA) where: Base-Base interactions energy: -783.564 where: short stacking energy: -367.589 Base-Backbone interact. energy: -0.914 local terms energy: -375.889934 where: bonds (distance) C4'-P energy: -69.211 bonds (distance) P-C4' energy: -67.525 flat angles C4'-P-C4' energy: -76.178 flat angles P-C4'-P energy: -59.693 tors. eta vs tors. theta energy: -103.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1115.202527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.202527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.202527 (E_RNA) where: Base-Base interactions energy: -754.432 where: short stacking energy: -347.342 Base-Backbone interact. energy: -0.420 local terms energy: -360.350416 where: bonds (distance) C4'-P energy: -71.630 bonds (distance) P-C4' energy: -62.632 flat angles C4'-P-C4' energy: -72.912 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -103.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1018.841096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.841096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.841096 (E_RNA) where: Base-Base interactions energy: -681.438 where: short stacking energy: -326.923 Base-Backbone interact. energy: -0.247 local terms energy: -337.156487 where: bonds (distance) C4'-P energy: -65.447 bonds (distance) P-C4' energy: -69.359 flat angles C4'-P-C4' energy: -75.829 flat angles P-C4'-P energy: -38.565 tors. eta vs tors. theta energy: -87.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -931.066901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.066901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.066901 (E_RNA) where: Base-Base interactions energy: -596.833 where: short stacking energy: -271.917 Base-Backbone interact. energy: -1.475 local terms energy: -332.759432 where: bonds (distance) C4'-P energy: -70.067 bonds (distance) P-C4' energy: -68.076 flat angles C4'-P-C4' energy: -67.462 flat angles P-C4'-P energy: -47.979 tors. eta vs tors. theta energy: -79.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -915.133322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.133322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.133322 (E_RNA) where: Base-Base interactions energy: -601.186 where: short stacking energy: -286.739 Base-Backbone interact. energy: -0.475 local terms energy: -313.471755 where: bonds (distance) C4'-P energy: -62.412 bonds (distance) P-C4' energy: -56.810 flat angles C4'-P-C4' energy: -69.782 flat angles P-C4'-P energy: -52.326 tors. eta vs tors. theta energy: -72.142 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: 8 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -765.209345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.209345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.209345 (E_RNA) where: Base-Base interactions energy: -496.930 where: short stacking energy: -245.645 Base-Backbone interact. energy: -1.090 local terms energy: -267.188991 where: bonds (distance) C4'-P energy: -43.372 bonds (distance) P-C4' energy: -59.854 flat angles C4'-P-C4' energy: -66.029 flat angles P-C4'-P energy: -38.805 tors. eta vs tors. theta energy: -59.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -689.061404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.061404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.061404 (E_RNA) where: Base-Base interactions energy: -422.244 where: short stacking energy: -198.308 Base-Backbone interact. energy: -1.095 local terms energy: -265.723213 where: bonds (distance) C4'-P energy: -58.218 bonds (distance) P-C4' energy: -63.836 flat angles C4'-P-C4' energy: -59.524 flat angles P-C4'-P energy: -33.316 tors. eta vs tors. theta energy: -50.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -557.776573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.776573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.776573 (E_RNA) where: Base-Base interactions energy: -325.157 where: short stacking energy: -195.935 Base-Backbone interact. energy: -1.287 local terms energy: -231.333050 where: bonds (distance) C4'-P energy: -60.618 bonds (distance) P-C4' energy: -45.740 flat angles C4'-P-C4' energy: -49.574 flat angles P-C4'-P energy: -38.417 tors. eta vs tors. theta energy: -36.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -360.137134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.137134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.137134 (E_RNA) where: Base-Base interactions energy: -162.474 where: short stacking energy: -110.083 Base-Backbone interact. energy: -0.587 local terms energy: -197.076326 where: bonds (distance) C4'-P energy: -51.476 bonds (distance) P-C4' energy: -57.401 flat angles C4'-P-C4' energy: -53.779 flat angles P-C4'-P energy: -31.107 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -350.830901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.830901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.830901 (E_RNA) where: Base-Base interactions energy: -181.462 where: short stacking energy: -115.322 Base-Backbone interact. energy: 6.099 local terms energy: -175.467546 where: bonds (distance) C4'-P energy: -59.552 bonds (distance) P-C4' energy: -50.195 flat angles C4'-P-C4' energy: -48.444 flat angles P-C4'-P energy: -18.037 tors. eta vs tors. theta energy: 0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1159.128041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.128041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.128041 (E_RNA) where: Base-Base interactions energy: -787.773 where: short stacking energy: -368.539 Base-Backbone interact. energy: -1.321 local terms energy: -370.034730 where: bonds (distance) C4'-P energy: -61.372 bonds (distance) P-C4' energy: -69.803 flat angles C4'-P-C4' energy: -79.375 flat angles P-C4'-P energy: -54.934 tors. eta vs tors. theta energy: -104.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1127.334425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.334425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.334425 (E_RNA) where: Base-Base interactions energy: -751.123 where: short stacking energy: -356.297 Base-Backbone interact. energy: -0.662 local terms energy: -375.549528 where: bonds (distance) C4'-P energy: -71.159 bonds (distance) P-C4' energy: -62.797 flat angles C4'-P-C4' energy: -86.755 flat angles P-C4'-P energy: -53.765 tors. eta vs tors. theta energy: -101.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1013.652351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.652351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.652351 (E_RNA) where: Base-Base interactions energy: -661.648 where: short stacking energy: -315.618 Base-Backbone interact. energy: -0.816 local terms energy: -351.188954 where: bonds (distance) C4'-P energy: -60.693 bonds (distance) P-C4' energy: -72.558 flat angles C4'-P-C4' energy: -78.995 flat angles P-C4'-P energy: -55.510 tors. eta vs tors. theta energy: -83.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -938.947568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.947568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.947568 (E_RNA) where: Base-Base interactions energy: -620.241 where: short stacking energy: -300.239 Base-Backbone interact. energy: -1.065 local terms energy: -317.641070 where: bonds (distance) C4'-P energy: -64.843 bonds (distance) P-C4' energy: -67.799 flat angles C4'-P-C4' energy: -62.659 flat angles P-C4'-P energy: -36.899 tors. eta vs tors. theta energy: -85.441 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: 138 Temperature: 1.100000 Total energy: -924.687771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.687771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.687771 (E_RNA) where: Base-Base interactions energy: -619.305 where: short stacking energy: -292.475 Base-Backbone interact. energy: -0.950 local terms energy: -304.432142 where: bonds (distance) C4'-P energy: -63.278 bonds (distance) P-C4' energy: -59.800 flat angles C4'-P-C4' energy: -62.023 flat angles P-C4'-P energy: -43.459 tors. eta vs tors. theta energy: -75.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -785.564454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.564454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.564454 (E_RNA) where: Base-Base interactions energy: -491.139 where: short stacking energy: -237.521 Base-Backbone interact. energy: -0.163 local terms energy: -294.262903 where: bonds (distance) C4'-P energy: -67.132 bonds (distance) P-C4' energy: -65.824 flat angles C4'-P-C4' energy: -67.721 flat angles P-C4'-P energy: -38.820 tors. eta vs tors. theta energy: -54.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -669.575219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.575219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.575219 (E_RNA) where: Base-Base interactions energy: -397.996 where: short stacking energy: -199.205 Base-Backbone interact. energy: -0.745 local terms energy: -270.833519 where: bonds (distance) C4'-P energy: -66.962 bonds (distance) P-C4' energy: -67.909 flat angles C4'-P-C4' energy: -56.151 flat angles P-C4'-P energy: -38.163 tors. eta vs tors. theta energy: -41.648 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: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -561.209660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.209660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.209660 (E_RNA) where: Base-Base interactions energy: -323.593 where: short stacking energy: -181.375 Base-Backbone interact. energy: 1.474 local terms energy: -239.090878 where: bonds (distance) C4'-P energy: -56.285 bonds (distance) P-C4' energy: -64.811 flat angles C4'-P-C4' energy: -49.854 flat angles P-C4'-P energy: -34.551 tors. eta vs tors. theta energy: -33.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -390.214982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.214982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.214982 (E_RNA) where: Base-Base interactions energy: -191.326 where: short stacking energy: -125.124 Base-Backbone interact. energy: -0.329 local terms energy: -198.559098 where: bonds (distance) C4'-P energy: -53.632 bonds (distance) P-C4' energy: -56.302 flat angles C4'-P-C4' energy: -58.856 flat angles P-C4'-P energy: -23.877 tors. eta vs tors. theta energy: -5.892 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: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -358.072262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.072262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.072262 (E_RNA) where: Base-Base interactions energy: -171.606 where: short stacking energy: -113.332 Base-Backbone interact. energy: 3.735 local terms energy: -190.201392 where: bonds (distance) C4'-P energy: -48.539 bonds (distance) P-C4' energy: -66.338 flat angles C4'-P-C4' energy: -46.526 flat angles P-C4'-P energy: -30.672 tors. eta vs tors. theta energy: 1.873 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: 139 Temperature: 0.900000 Total energy: -1144.911503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.911503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.911503 (E_RNA) where: Base-Base interactions energy: -760.833 where: short stacking energy: -341.865 Base-Backbone interact. energy: -0.199 local terms energy: -383.879330 where: bonds (distance) C4'-P energy: -77.793 bonds (distance) P-C4' energy: -70.227 flat angles C4'-P-C4' energy: -80.236 flat angles P-C4'-P energy: -52.176 tors. eta vs tors. theta energy: -103.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1157.865675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.865675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.865675 (E_RNA) where: Base-Base interactions energy: -777.634 where: short stacking energy: -377.019 Base-Backbone interact. energy: -0.514 local terms energy: -379.717206 where: bonds (distance) C4'-P energy: -67.203 bonds (distance) P-C4' energy: -72.319 flat angles C4'-P-C4' energy: -84.972 flat angles P-C4'-P energy: -45.935 tors. eta vs tors. theta energy: -109.288 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: 139 Temperature: 1.000000 Total energy: -981.626739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.626739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.626739 (E_RNA) where: Base-Base interactions energy: -650.391 where: short stacking energy: -317.637 Base-Backbone interact. energy: -0.437 local terms energy: -330.798661 where: bonds (distance) C4'-P energy: -61.714 bonds (distance) P-C4' energy: -54.835 flat angles C4'-P-C4' energy: -75.375 flat angles P-C4'-P energy: -51.886 tors. eta vs tors. theta energy: -86.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -962.510504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.510504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.510504 (E_RNA) where: Base-Base interactions energy: -646.888 where: short stacking energy: -280.277 Base-Backbone interact. energy: 4.450 local terms energy: -320.072687 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -53.671 flat angles C4'-P-C4' energy: -71.292 flat angles P-C4'-P energy: -54.763 tors. eta vs tors. theta energy: -74.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -937.332840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.332840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.332840 (E_RNA) where: Base-Base interactions energy: -610.940 where: short stacking energy: -297.604 Base-Backbone interact. energy: -0.878 local terms energy: -325.515267 where: bonds (distance) C4'-P energy: -60.672 bonds (distance) P-C4' energy: -62.709 flat angles C4'-P-C4' energy: -67.853 flat angles P-C4'-P energy: -51.043 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: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -786.654704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.654704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.654704 (E_RNA) where: Base-Base interactions energy: -514.541 where: short stacking energy: -231.978 Base-Backbone interact. energy: -0.112 local terms energy: -272.001566 where: bonds (distance) C4'-P energy: -66.110 bonds (distance) P-C4' energy: -52.767 flat angles C4'-P-C4' energy: -63.247 flat angles P-C4'-P energy: -32.709 tors. eta vs tors. theta energy: -57.168 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: 139 Temperature: 1.200000 Total energy: -718.920449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.920449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.920449 (E_RNA) where: Base-Base interactions energy: -445.504 where: short stacking energy: -213.088 Base-Backbone interact. energy: -1.361 local terms energy: -272.055148 where: bonds (distance) C4'-P energy: -56.364 bonds (distance) P-C4' energy: -57.732 flat angles C4'-P-C4' energy: -62.466 flat angles P-C4'-P energy: -45.936 tors. eta vs tors. theta energy: -49.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -563.675990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.675990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.675990 (E_RNA) where: Base-Base interactions energy: -317.248 where: short stacking energy: -172.172 Base-Backbone interact. energy: -1.401 local terms energy: -245.027267 where: bonds (distance) C4'-P energy: -66.487 bonds (distance) P-C4' energy: -59.543 flat angles C4'-P-C4' energy: -62.621 flat angles P-C4'-P energy: -26.911 tors. eta vs tors. theta energy: -29.465 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: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -393.508190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.508190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.508190 (E_RNA) where: Base-Base interactions energy: -195.079 where: short stacking energy: -124.335 Base-Backbone interact. energy: 0.099 local terms energy: -198.528480 where: bonds (distance) C4'-P energy: -53.171 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -46.659 flat angles P-C4'-P energy: -33.816 tors. eta vs tors. theta energy: -3.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -344.315474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.315474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.315474 (E_RNA) where: Base-Base interactions energy: -152.404 where: short stacking energy: -94.542 Base-Backbone interact. energy: 3.116 local terms energy: -195.027403 where: bonds (distance) C4'-P energy: -53.395 bonds (distance) P-C4' energy: -62.056 flat angles C4'-P-C4' energy: -54.424 flat angles P-C4'-P energy: -28.791 tors. eta vs tors. theta energy: 3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1170.210911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.210911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.210911 (E_RNA) where: Base-Base interactions energy: -770.224 where: short stacking energy: -373.093 Base-Backbone interact. energy: -0.119 local terms energy: -399.867496 where: bonds (distance) C4'-P energy: -71.134 bonds (distance) P-C4' energy: -70.829 flat angles C4'-P-C4' energy: -79.163 flat angles P-C4'-P energy: -64.907 tors. eta vs tors. theta energy: -113.835 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: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1110.439862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.439862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.439862 (E_RNA) where: Base-Base interactions energy: -749.577 where: short stacking energy: -345.102 Base-Backbone interact. energy: -0.962 local terms energy: -359.900860 where: bonds (distance) C4'-P energy: -62.053 bonds (distance) P-C4' energy: -68.133 flat angles C4'-P-C4' energy: -79.400 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: -111.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1024.697739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.697739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.697739 (E_RNA) where: Base-Base interactions energy: -661.863 where: short stacking energy: -330.897 Base-Backbone interact. energy: -2.642 local terms energy: -360.192443 where: bonds (distance) C4'-P energy: -63.463 bonds (distance) P-C4' energy: -69.854 flat angles C4'-P-C4' energy: -80.267 flat angles P-C4'-P energy: -49.357 tors. eta vs tors. theta energy: -97.251 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: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1010.809454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.809454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.809454 (E_RNA) where: Base-Base interactions energy: -654.256 where: short stacking energy: -326.202 Base-Backbone interact. energy: -0.888 local terms energy: -355.665794 where: bonds (distance) C4'-P energy: -62.531 bonds (distance) P-C4' energy: -67.613 flat angles C4'-P-C4' energy: -79.089 flat angles P-C4'-P energy: -55.528 tors. eta vs tors. theta energy: -90.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -929.799987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.799987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.799987 (E_RNA) where: Base-Base interactions energy: -609.832 where: short stacking energy: -281.634 Base-Backbone interact. energy: -0.972 local terms energy: -318.996401 where: bonds (distance) C4'-P energy: -55.183 bonds (distance) P-C4' energy: -69.331 flat angles C4'-P-C4' energy: -71.902 flat angles P-C4'-P energy: -35.607 tors. eta vs tors. theta energy: -86.974 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: 8 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -774.529736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.529736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.529736 (E_RNA) where: Base-Base interactions energy: -493.352 where: short stacking energy: -238.312 Base-Backbone interact. energy: 0.038 local terms energy: -281.215847 where: bonds (distance) C4'-P energy: -57.598 bonds (distance) P-C4' energy: -63.711 flat angles C4'-P-C4' energy: -66.575 flat angles P-C4'-P energy: -36.434 tors. eta vs tors. theta energy: -56.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -637.697553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.697553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.697553 (E_RNA) where: Base-Base interactions energy: -383.464 where: short stacking energy: -188.656 Base-Backbone interact. energy: -1.715 local terms energy: -252.518149 where: bonds (distance) C4'-P energy: -57.670 bonds (distance) P-C4' energy: -60.635 flat angles C4'-P-C4' energy: -60.990 flat angles P-C4'-P energy: -44.107 tors. eta vs tors. theta energy: -29.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -569.657573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.657573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.657573 (E_RNA) where: Base-Base interactions energy: -344.116 where: short stacking energy: -172.275 Base-Backbone interact. energy: 3.618 local terms energy: -229.159459 where: bonds (distance) C4'-P energy: -56.324 bonds (distance) P-C4' energy: -70.685 flat angles C4'-P-C4' energy: -49.170 flat angles P-C4'-P energy: -26.971 tors. eta vs tors. theta energy: -26.010 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: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -444.152089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.152089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.152089 (E_RNA) where: Base-Base interactions energy: -227.379 where: short stacking energy: -144.891 Base-Backbone interact. energy: 3.405 local terms energy: -220.178169 where: bonds (distance) C4'-P energy: -63.386 bonds (distance) P-C4' energy: -51.399 flat angles C4'-P-C4' energy: -49.701 flat angles P-C4'-P energy: -38.213 tors. eta vs tors. theta energy: -17.480 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: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -401.352658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.352658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.352658 (E_RNA) where: Base-Base interactions energy: -190.173 where: short stacking energy: -111.363 Base-Backbone interact. energy: 1.888 local terms energy: -213.067585 where: bonds (distance) C4'-P energy: -72.914 bonds (distance) P-C4' energy: -50.673 flat angles C4'-P-C4' energy: -44.485 flat angles P-C4'-P energy: -37.037 tors. eta vs tors. theta energy: -7.959 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: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1180.165785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.165785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.165785 (E_RNA) where: Base-Base interactions energy: -806.407 where: short stacking energy: -369.438 Base-Backbone interact. energy: -1.344 local terms energy: -372.414728 where: bonds (distance) C4'-P energy: -78.772 bonds (distance) P-C4' energy: -63.348 flat angles C4'-P-C4' energy: -78.186 flat angles P-C4'-P energy: -47.072 tors. eta vs tors. theta energy: -105.036 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: 2, replica: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1122.463351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.463351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.463351 (E_RNA) where: Base-Base interactions energy: -757.213 where: short stacking energy: -356.748 Base-Backbone interact. energy: -0.231 local terms energy: -365.018843 where: bonds (distance) C4'-P energy: -72.007 bonds (distance) P-C4' energy: -67.292 flat angles C4'-P-C4' energy: -69.344 flat angles P-C4'-P energy: -54.079 tors. eta vs tors. theta energy: -102.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1008.683560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.683560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.683560 (E_RNA) where: Base-Base interactions energy: -659.561 where: short stacking energy: -316.349 Base-Backbone interact. energy: -1.127 local terms energy: -347.995572 where: bonds (distance) C4'-P energy: -74.759 bonds (distance) P-C4' energy: -70.150 flat angles C4'-P-C4' energy: -69.835 flat angles P-C4'-P energy: -51.132 tors. eta vs tors. theta energy: -82.119 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: 4, replica: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -986.887125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.887125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.887125 (E_RNA) where: Base-Base interactions energy: -650.131 where: short stacking energy: -298.904 Base-Backbone interact. energy: -0.637 local terms energy: -336.119089 where: bonds (distance) C4'-P energy: -65.421 bonds (distance) P-C4' energy: -59.187 flat angles C4'-P-C4' energy: -81.565 flat angles P-C4'-P energy: -60.235 tors. eta vs tors. theta energy: -69.711 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: 5, replica: 5 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -892.125603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.125603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.125603 (E_RNA) where: Base-Base interactions energy: -561.849 where: short stacking energy: -273.281 Base-Backbone interact. energy: -0.569 local terms energy: -329.707729 where: bonds (distance) C4'-P energy: -70.783 bonds (distance) P-C4' energy: -69.755 flat angles C4'-P-C4' energy: -74.178 flat angles P-C4'-P energy: -43.306 tors. eta vs tors. theta energy: -71.686 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: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -772.131960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.131960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.131960 (E_RNA) where: Base-Base interactions energy: -501.623 where: short stacking energy: -250.445 Base-Backbone interact. energy: -0.851 local terms energy: -269.657488 where: bonds (distance) C4'-P energy: -50.503 bonds (distance) P-C4' energy: -68.934 flat angles C4'-P-C4' energy: -59.520 flat angles P-C4'-P energy: -34.584 tors. eta vs tors. theta energy: -56.115 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: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -648.902930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.902930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.902930 (E_RNA) where: Base-Base interactions energy: -380.293 where: short stacking energy: -203.193 Base-Backbone interact. energy: 0.173 local terms energy: -268.782235 where: bonds (distance) C4'-P energy: -58.417 bonds (distance) P-C4' energy: -60.923 flat angles C4'-P-C4' energy: -59.586 flat angles P-C4'-P energy: -32.341 tors. eta vs tors. theta energy: -57.516 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: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -545.677451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.677451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.677451 (E_RNA) where: Base-Base interactions energy: -310.480 where: short stacking energy: -166.865 Base-Backbone interact. energy: 3.259 local terms energy: -238.456854 where: bonds (distance) C4'-P energy: -65.563 bonds (distance) P-C4' energy: -61.422 flat angles C4'-P-C4' energy: -53.593 flat angles P-C4'-P energy: -32.963 tors. eta vs tors. theta energy: -24.916 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: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -362.562973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.562973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.562973 (E_RNA) where: Base-Base interactions energy: -161.966 where: short stacking energy: -103.264 Base-Backbone interact. energy: -1.564 local terms energy: -199.033160 where: bonds (distance) C4'-P energy: -58.089 bonds (distance) P-C4' energy: -55.198 flat angles C4'-P-C4' energy: -45.627 flat angles P-C4'-P energy: -36.321 tors. eta vs tors. theta energy: -3.798 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: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -373.051009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.051009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.051009 (E_RNA) where: Base-Base interactions energy: -174.091 where: short stacking energy: -86.238 Base-Backbone interact. energy: -1.788 local terms energy: -197.172219 where: bonds (distance) C4'-P energy: -66.803 bonds (distance) P-C4' energy: -62.662 flat angles C4'-P-C4' energy: -55.383 flat angles P-C4'-P energy: -15.889 tors. eta vs tors. theta energy: 3.565 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: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1164.912565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.912565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.912565 (E_RNA) where: Base-Base interactions energy: -783.528 where: short stacking energy: -352.208 Base-Backbone interact. energy: -0.732 local terms energy: -380.652377 where: bonds (distance) C4'-P energy: -74.687 bonds (distance) P-C4' energy: -70.758 flat angles C4'-P-C4' energy: -74.083 flat angles P-C4'-P energy: -53.312 tors. eta vs tors. theta energy: -107.813 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: 2, replica: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1101.802372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.802372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.802372 (E_RNA) where: Base-Base interactions energy: -742.147 where: short stacking energy: -347.033 Base-Backbone interact. energy: -1.479 local terms energy: -358.176455 where: bonds (distance) C4'-P energy: -68.258 bonds (distance) P-C4' energy: -60.221 flat angles C4'-P-C4' energy: -76.501 flat angles P-C4'-P energy: -46.429 tors. eta vs tors. theta energy: -106.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1021.935925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.935925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.935925 (E_RNA) where: Base-Base interactions energy: -676.394 where: short stacking energy: -329.065 Base-Backbone interact. energy: -2.540 local terms energy: -343.001931 where: bonds (distance) C4'-P energy: -57.221 bonds (distance) P-C4' energy: -73.537 flat angles C4'-P-C4' energy: -67.780 flat angles P-C4'-P energy: -44.084 tors. eta vs tors. theta energy: -100.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -972.764585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.764585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.764585 (E_RNA) where: Base-Base interactions energy: -636.253 where: short stacking energy: -300.084 Base-Backbone interact. energy: -0.806 local terms energy: -335.705490 where: bonds (distance) C4'-P energy: -66.928 bonds (distance) P-C4' energy: -66.458 flat angles C4'-P-C4' energy: -72.054 flat angles P-C4'-P energy: -42.120 tors. eta vs tors. theta energy: -88.146 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: 5 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -903.696117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.696117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.696117 (E_RNA) where: Base-Base interactions energy: -595.897 where: short stacking energy: -283.139 Base-Backbone interact. energy: -2.599 local terms energy: -305.200945 where: bonds (distance) C4'-P energy: -64.498 bonds (distance) P-C4' energy: -61.556 flat angles C4'-P-C4' energy: -58.050 flat angles P-C4'-P energy: -45.485 tors. eta vs tors. theta energy: -75.611 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: 6, replica: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -735.246505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.246505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.246505 (E_RNA) where: Base-Base interactions energy: -452.244 where: short stacking energy: -215.846 Base-Backbone interact. energy: -0.426 local terms energy: -282.576007 where: bonds (distance) C4'-P energy: -69.193 bonds (distance) P-C4' energy: -61.838 flat angles C4'-P-C4' energy: -62.582 flat angles P-C4'-P energy: -44.851 tors. eta vs tors. theta energy: -44.112 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: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -610.268735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.268735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.268735 (E_RNA) where: Base-Base interactions energy: -361.450 where: short stacking energy: -182.323 Base-Backbone interact. energy: -1.676 local terms energy: -247.142543 where: bonds (distance) C4'-P energy: -60.265 bonds (distance) P-C4' energy: -58.587 flat angles C4'-P-C4' energy: -63.895 flat angles P-C4'-P energy: -28.751 tors. eta vs tors. theta energy: -35.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -567.305140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.305140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.305140 (E_RNA) where: Base-Base interactions energy: -324.644 where: short stacking energy: -175.525 Base-Backbone interact. energy: -0.958 local terms energy: -241.702671 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -55.465 flat angles C4'-P-C4' energy: -59.664 flat angles P-C4'-P energy: -35.168 tors. eta vs tors. theta energy: -34.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -413.412684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.412684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.412684 (E_RNA) where: Base-Base interactions energy: -216.551 where: short stacking energy: -114.411 Base-Backbone interact. energy: -1.909 local terms energy: -194.953266 where: bonds (distance) C4'-P energy: -55.728 bonds (distance) P-C4' energy: -68.049 flat angles C4'-P-C4' energy: -49.050 flat angles P-C4'-P energy: -30.364 tors. eta vs tors. theta energy: 8.238 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: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -343.635678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.635678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.635678 (E_RNA) where: Base-Base interactions energy: -140.867 where: short stacking energy: -78.940 Base-Backbone interact. energy: 1.293 local terms energy: -204.062382 where: bonds (distance) C4'-P energy: -55.491 bonds (distance) P-C4' energy: -71.280 flat angles C4'-P-C4' energy: -51.842 flat angles P-C4'-P energy: -37.866 tors. eta vs tors. theta energy: 12.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1173.175646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.175646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.175646 (E_RNA) where: Base-Base interactions energy: -796.146 where: short stacking energy: -381.887 Base-Backbone interact. energy: 3.839 local terms energy: -380.869177 where: bonds (distance) C4'-P energy: -73.289 bonds (distance) P-C4' energy: -64.197 flat angles C4'-P-C4' energy: -80.483 flat angles P-C4'-P energy: -56.519 tors. eta vs tors. theta energy: -106.381 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: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1156.904008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.904008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.904008 (E_RNA) where: Base-Base interactions energy: -780.456 where: short stacking energy: -353.288 Base-Backbone interact. energy: -0.471 local terms energy: -375.976648 where: bonds (distance) C4'-P energy: -72.544 bonds (distance) P-C4' energy: -69.083 flat angles C4'-P-C4' energy: -78.008 flat angles P-C4'-P energy: -47.144 tors. eta vs tors. theta energy: -109.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1010.779607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.779607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.779607 (E_RNA) where: Base-Base interactions energy: -659.810 where: short stacking energy: -318.682 Base-Backbone interact. energy: -1.032 local terms energy: -349.938266 where: bonds (distance) C4'-P energy: -58.857 bonds (distance) P-C4' energy: -65.933 flat angles C4'-P-C4' energy: -75.670 flat angles P-C4'-P energy: -51.888 tors. eta vs tors. theta energy: -97.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -983.027080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.027080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.027080 (E_RNA) where: Base-Base interactions energy: -653.180 where: short stacking energy: -321.665 Base-Backbone interact. energy: 0.119 local terms energy: -329.965777 where: bonds (distance) C4'-P energy: -69.554 bonds (distance) P-C4' energy: -61.565 flat angles C4'-P-C4' energy: -69.847 flat angles P-C4'-P energy: -35.882 tors. eta vs tors. theta energy: -93.118 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: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -913.860209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.860209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.860209 (E_RNA) where: Base-Base interactions energy: -586.842 where: short stacking energy: -297.045 Base-Backbone interact. energy: 1.649 local terms energy: -328.666979 where: bonds (distance) C4'-P energy: -69.145 bonds (distance) P-C4' energy: -58.543 flat angles C4'-P-C4' energy: -72.312 flat angles P-C4'-P energy: -46.665 tors. eta vs tors. theta energy: -82.001 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: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -633.151091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.151091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.151091 (E_RNA) where: Base-Base interactions energy: -348.224 where: short stacking energy: -188.463 Base-Backbone interact. energy: -1.558 local terms energy: -283.369867 where: bonds (distance) C4'-P energy: -67.635 bonds (distance) P-C4' energy: -62.546 flat angles C4'-P-C4' energy: -60.673 flat angles P-C4'-P energy: -50.388 tors. eta vs tors. theta energy: -42.129 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: 8 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -683.933940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.933940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.933940 (E_RNA) where: Base-Base interactions energy: -435.073 where: short stacking energy: -205.786 Base-Backbone interact. energy: -0.301 local terms energy: -248.560154 where: bonds (distance) C4'-P energy: -47.023 bonds (distance) P-C4' energy: -70.265 flat angles C4'-P-C4' energy: -69.154 flat angles P-C4'-P energy: -29.216 tors. eta vs tors. theta energy: -32.901 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: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -530.926481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.926481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.926481 (E_RNA) where: Base-Base interactions energy: -321.732 where: short stacking energy: -184.693 Base-Backbone interact. energy: -0.689 local terms energy: -208.506132 where: bonds (distance) C4'-P energy: -46.668 bonds (distance) P-C4' energy: -53.837 flat angles C4'-P-C4' energy: -45.677 flat angles P-C4'-P energy: -30.497 tors. eta vs tors. theta energy: -31.828 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: 143 Temperature: 1.300000 Total energy: -434.968373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.968373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.968373 (E_RNA) where: Base-Base interactions energy: -200.526 where: short stacking energy: -119.952 Base-Backbone interact. energy: -2.967 local terms energy: -231.475445 where: bonds (distance) C4'-P energy: -70.283 bonds (distance) P-C4' energy: -63.465 flat angles C4'-P-C4' energy: -50.098 flat angles P-C4'-P energy: -41.631 tors. eta vs tors. theta energy: -5.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -379.998203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.998203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.998203 (E_RNA) where: Base-Base interactions energy: -184.534 where: short stacking energy: -118.439 Base-Backbone interact. energy: 1.185 local terms energy: -196.649402 where: bonds (distance) C4'-P energy: -47.699 bonds (distance) P-C4' energy: -59.427 flat angles C4'-P-C4' energy: -50.021 flat angles P-C4'-P energy: -27.801 tors. eta vs tors. theta energy: -11.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1182.070995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.070995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.070995 (E_RNA) where: Base-Base interactions energy: -796.583 where: short stacking energy: -363.508 Base-Backbone interact. energy: 0.598 local terms energy: -386.086095 where: bonds (distance) C4'-P energy: -64.242 bonds (distance) P-C4' energy: -71.402 flat angles C4'-P-C4' energy: -80.784 flat angles P-C4'-P energy: -57.607 tors. eta vs tors. theta energy: -112.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1126.250331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.250331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.250331 (E_RNA) where: Base-Base interactions energy: -758.082 where: short stacking energy: -364.657 Base-Backbone interact. energy: -0.225 local terms energy: -367.943151 where: bonds (distance) C4'-P energy: -68.675 bonds (distance) P-C4' energy: -61.658 flat angles C4'-P-C4' energy: -76.508 flat angles P-C4'-P energy: -51.514 tors. eta vs tors. theta energy: -109.588 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: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1013.977063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.977063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.977063 (E_RNA) where: Base-Base interactions energy: -664.012 where: short stacking energy: -330.359 Base-Backbone interact. energy: -0.867 local terms energy: -349.098163 where: bonds (distance) C4'-P energy: -70.507 bonds (distance) P-C4' energy: -69.108 flat angles C4'-P-C4' energy: -70.368 flat angles P-C4'-P energy: -50.348 tors. eta vs tors. theta energy: -88.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -970.764327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.764327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.764327 (E_RNA) where: Base-Base interactions energy: -639.941 where: short stacking energy: -321.157 Base-Backbone interact. energy: 0.468 local terms energy: -331.291531 where: bonds (distance) C4'-P energy: -65.672 bonds (distance) P-C4' energy: -69.019 flat angles C4'-P-C4' energy: -64.160 flat angles P-C4'-P energy: -47.370 tors. eta vs tors. theta energy: -85.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -929.162085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.162085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.162085 (E_RNA) where: Base-Base interactions energy: -594.685 where: short stacking energy: -293.327 Base-Backbone interact. energy: 1.359 local terms energy: -335.836114 where: bonds (distance) C4'-P energy: -65.400 bonds (distance) P-C4' energy: -64.157 flat angles C4'-P-C4' energy: -74.878 flat angles P-C4'-P energy: -50.899 tors. eta vs tors. theta energy: -80.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -637.471518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.471518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.471518 (E_RNA) where: Base-Base interactions energy: -370.121 where: short stacking energy: -203.007 Base-Backbone interact. energy: -0.900 local terms energy: -266.450650 where: bonds (distance) C4'-P energy: -61.727 bonds (distance) P-C4' energy: -69.187 flat angles C4'-P-C4' energy: -54.805 flat angles P-C4'-P energy: -41.621 tors. eta vs tors. theta energy: -39.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -720.054458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.054458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.054458 (E_RNA) where: Base-Base interactions energy: -464.582 where: short stacking energy: -215.169 Base-Backbone interact. energy: 1.489 local terms energy: -256.961274 where: bonds (distance) C4'-P energy: -60.741 bonds (distance) P-C4' energy: -65.207 flat angles C4'-P-C4' energy: -56.682 flat angles P-C4'-P energy: -29.021 tors. eta vs tors. theta energy: -45.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -532.298197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.298197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.298197 (E_RNA) where: Base-Base interactions energy: -281.153 where: short stacking energy: -146.975 Base-Backbone interact. energy: -1.096 local terms energy: -250.048993 where: bonds (distance) C4'-P energy: -52.439 bonds (distance) P-C4' energy: -64.905 flat angles C4'-P-C4' energy: -69.661 flat angles P-C4'-P energy: -30.561 tors. eta vs tors. theta energy: -32.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -424.673578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.673578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.673578 (E_RNA) where: Base-Base interactions energy: -222.577 where: short stacking energy: -123.338 Base-Backbone interact. energy: 0.879 local terms energy: -202.976293 where: bonds (distance) C4'-P energy: -57.301 bonds (distance) P-C4' energy: -54.623 flat angles C4'-P-C4' energy: -59.120 flat angles P-C4'-P energy: -27.359 tors. eta vs tors. theta energy: -4.573 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: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -368.403800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.403800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.403800 (E_RNA) where: Base-Base interactions energy: -170.123 where: short stacking energy: -103.947 Base-Backbone interact. energy: -0.409 local terms energy: -197.871488 where: bonds (distance) C4'-P energy: -58.894 bonds (distance) P-C4' energy: -65.543 flat angles C4'-P-C4' energy: -53.361 flat angles P-C4'-P energy: -12.945 tors. eta vs tors. theta energy: -7.128 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: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1180.911293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.911293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.911293 (E_RNA) where: Base-Base interactions energy: -814.231 where: short stacking energy: -367.330 Base-Backbone interact. energy: 2.047 local terms energy: -368.726652 where: bonds (distance) C4'-P energy: -67.497 bonds (distance) P-C4' energy: -67.912 flat angles C4'-P-C4' energy: -72.687 flat angles P-C4'-P energy: -47.033 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: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1122.895110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.895110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.895110 (E_RNA) where: Base-Base interactions energy: -766.152 where: short stacking energy: -363.437 Base-Backbone interact. energy: -0.577 local terms energy: -356.166650 where: bonds (distance) C4'-P energy: -63.165 bonds (distance) P-C4' energy: -66.636 flat angles C4'-P-C4' energy: -79.420 flat angles P-C4'-P energy: -49.637 tors. eta vs tors. theta energy: -97.309 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: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1040.895473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.895473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.895473 (E_RNA) where: Base-Base interactions energy: -680.436 where: short stacking energy: -320.519 Base-Backbone interact. energy: -1.683 local terms energy: -358.775894 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -69.165 flat angles C4'-P-C4' energy: -77.263 flat angles P-C4'-P energy: -53.220 tors. eta vs tors. theta energy: -92.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -941.318157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.318157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.318157 (E_RNA) where: Base-Base interactions energy: -611.493 where: short stacking energy: -299.656 Base-Backbone interact. energy: -1.384 local terms energy: -328.441333 where: bonds (distance) C4'-P energy: -60.674 bonds (distance) P-C4' energy: -68.309 flat angles C4'-P-C4' energy: -75.752 flat angles P-C4'-P energy: -41.010 tors. eta vs tors. theta energy: -82.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -973.186310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.186310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.186310 (E_RNA) where: Base-Base interactions energy: -651.050 where: short stacking energy: -300.168 Base-Backbone interact. energy: -0.270 local terms energy: -321.866553 where: bonds (distance) C4'-P energy: -52.287 bonds (distance) P-C4' energy: -71.499 flat angles C4'-P-C4' energy: -67.848 flat angles P-C4'-P energy: -47.995 tors. eta vs tors. theta energy: -82.237 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: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -754.803220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.803220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.803220 (E_RNA) where: Base-Base interactions energy: -492.872 where: short stacking energy: -239.741 Base-Backbone interact. energy: -0.881 local terms energy: -261.050159 where: bonds (distance) C4'-P energy: -42.026 bonds (distance) P-C4' energy: -66.409 flat angles C4'-P-C4' energy: -59.561 flat angles P-C4'-P energy: -41.897 tors. eta vs tors. theta energy: -51.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -616.256682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.256682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.256682 (E_RNA) where: Base-Base interactions energy: -362.905 where: short stacking energy: -177.658 Base-Backbone interact. energy: -0.232 local terms energy: -253.119891 where: bonds (distance) C4'-P energy: -54.679 bonds (distance) P-C4' energy: -68.132 flat angles C4'-P-C4' energy: -59.766 flat angles P-C4'-P energy: -29.323 tors. eta vs tors. theta energy: -41.220 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: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -583.242806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.242806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.242806 (E_RNA) where: Base-Base interactions energy: -338.213 where: short stacking energy: -170.434 Base-Backbone interact. energy: 0.659 local terms energy: -245.688799 where: bonds (distance) C4'-P energy: -63.700 bonds (distance) P-C4' energy: -60.748 flat angles C4'-P-C4' energy: -54.674 flat angles P-C4'-P energy: -34.741 tors. eta vs tors. theta energy: -31.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -402.601764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.601764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.601764 (E_RNA) where: Base-Base interactions energy: -216.313 where: short stacking energy: -110.947 Base-Backbone interact. energy: 1.450 local terms energy: -187.738998 where: bonds (distance) C4'-P energy: -43.821 bonds (distance) P-C4' energy: -51.341 flat angles C4'-P-C4' energy: -53.575 flat angles P-C4'-P energy: -30.344 tors. eta vs tors. theta energy: -8.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -359.558409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.558409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.558409 (E_RNA) where: Base-Base interactions energy: -158.978 where: short stacking energy: -109.879 Base-Backbone interact. energy: 3.750 local terms energy: -204.331012 where: bonds (distance) C4'-P energy: -60.096 bonds (distance) P-C4' energy: -59.866 flat angles C4'-P-C4' energy: -56.194 flat angles P-C4'-P energy: -28.253 tors. eta vs tors. theta energy: 0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1174.593483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.593483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.593483 (E_RNA) where: Base-Base interactions energy: -798.236 where: short stacking energy: -370.956 Base-Backbone interact. energy: -0.967 local terms energy: -375.391126 where: bonds (distance) C4'-P energy: -73.923 bonds (distance) P-C4' energy: -68.458 flat angles C4'-P-C4' energy: -76.438 flat angles P-C4'-P energy: -51.024 tors. eta vs tors. theta energy: -105.547 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: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1129.632736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.632736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.632736 (E_RNA) where: Base-Base interactions energy: -757.795 where: short stacking energy: -357.858 Base-Backbone interact. energy: -0.816 local terms energy: -371.021355 where: bonds (distance) C4'-P energy: -71.879 bonds (distance) P-C4' energy: -66.388 flat angles C4'-P-C4' energy: -75.832 flat angles P-C4'-P energy: -50.212 tors. eta vs tors. theta energy: -106.710 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: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1026.049453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.049453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.049453 (E_RNA) where: Base-Base interactions energy: -689.366 where: short stacking energy: -328.772 Base-Backbone interact. energy: -0.096 local terms energy: -336.587804 where: bonds (distance) C4'-P energy: -65.885 bonds (distance) P-C4' energy: -63.587 flat angles C4'-P-C4' energy: -79.500 flat angles P-C4'-P energy: -48.984 tors. eta vs tors. theta energy: -78.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -927.712013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.712013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.712013 (E_RNA) where: Base-Base interactions energy: -599.422 where: short stacking energy: -303.722 Base-Backbone interact. energy: -0.658 local terms energy: -327.631540 where: bonds (distance) C4'-P energy: -53.888 bonds (distance) P-C4' energy: -68.174 flat angles C4'-P-C4' energy: -75.278 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: -81.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -945.794962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.794962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.794962 (E_RNA) where: Base-Base interactions energy: -607.635 where: short stacking energy: -286.347 Base-Backbone interact. energy: -0.660 local terms energy: -337.500637 where: bonds (distance) C4'-P energy: -63.316 bonds (distance) P-C4' energy: -61.376 flat angles C4'-P-C4' energy: -79.959 flat angles P-C4'-P energy: -49.511 tors. eta vs tors. theta energy: -83.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -759.077042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.077042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.077042 (E_RNA) where: Base-Base interactions energy: -484.820 where: short stacking energy: -213.158 Base-Backbone interact. energy: -0.257 local terms energy: -274.000395 where: bonds (distance) C4'-P energy: -65.215 bonds (distance) P-C4' energy: -64.152 flat angles C4'-P-C4' energy: -63.867 flat angles P-C4'-P energy: -37.545 tors. eta vs tors. theta energy: -43.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -671.252299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.252299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.252299 (E_RNA) where: Base-Base interactions energy: -423.697 where: short stacking energy: -220.440 Base-Backbone interact. energy: 0.356 local terms energy: -247.911094 where: bonds (distance) C4'-P energy: -46.021 bonds (distance) P-C4' energy: -47.158 flat angles C4'-P-C4' energy: -63.294 flat angles P-C4'-P energy: -40.304 tors. eta vs tors. theta energy: -51.134 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: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -575.599645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.599645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.599645 (E_RNA) where: Base-Base interactions energy: -335.501 where: short stacking energy: -178.469 Base-Backbone interact. energy: -1.211 local terms energy: -238.887653 where: bonds (distance) C4'-P energy: -48.659 bonds (distance) P-C4' energy: -60.441 flat angles C4'-P-C4' energy: -65.711 flat angles P-C4'-P energy: -36.240 tors. eta vs tors. theta energy: -27.836 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: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -393.852977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.852977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.852977 (E_RNA) where: Base-Base interactions energy: -191.637 where: short stacking energy: -110.450 Base-Backbone interact. energy: 2.374 local terms energy: -204.589860 where: bonds (distance) C4'-P energy: -51.546 bonds (distance) P-C4' energy: -61.059 flat angles C4'-P-C4' energy: -49.137 flat angles P-C4'-P energy: -38.471 tors. eta vs tors. theta energy: -4.377 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: 10, replica: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -340.025946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.025946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.025946 (E_RNA) where: Base-Base interactions energy: -166.129 where: short stacking energy: -106.415 Base-Backbone interact. energy: 3.607 local terms energy: -177.503877 where: bonds (distance) C4'-P energy: -56.251 bonds (distance) P-C4' energy: -50.800 flat angles C4'-P-C4' energy: -36.172 flat angles P-C4'-P energy: -33.864 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1173.810277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.810277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.810277 (E_RNA) where: Base-Base interactions energy: -783.048 where: short stacking energy: -363.737 Base-Backbone interact. energy: -3.210 local terms energy: -387.551824 where: bonds (distance) C4'-P energy: -68.585 bonds (distance) P-C4' energy: -73.007 flat angles C4'-P-C4' energy: -82.646 flat angles P-C4'-P energy: -47.602 tors. eta vs tors. theta energy: -115.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1113.206147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.206147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.206147 (E_RNA) where: Base-Base interactions energy: -756.975 where: short stacking energy: -366.453 Base-Backbone interact. energy: 0.120 local terms energy: -356.350702 where: bonds (distance) C4'-P energy: -57.212 bonds (distance) P-C4' energy: -63.638 flat angles C4'-P-C4' energy: -78.802 flat angles P-C4'-P energy: -55.345 tors. eta vs tors. theta energy: -101.354 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: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1015.369854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.369854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.369854 (E_RNA) where: Base-Base interactions energy: -667.210 where: short stacking energy: -315.103 Base-Backbone interact. energy: -0.664 local terms energy: -347.496274 where: bonds (distance) C4'-P energy: -67.695 bonds (distance) P-C4' energy: -64.402 flat angles C4'-P-C4' energy: -77.559 flat angles P-C4'-P energy: -48.182 tors. eta vs tors. theta energy: -89.658 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: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -904.556406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.556406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.556406 (E_RNA) where: Base-Base interactions energy: -581.238 where: short stacking energy: -279.490 Base-Backbone interact. energy: -1.318 local terms energy: -321.999678 where: bonds (distance) C4'-P energy: -69.502 bonds (distance) P-C4' energy: -60.183 flat angles C4'-P-C4' energy: -76.841 flat angles P-C4'-P energy: -46.076 tors. eta vs tors. theta energy: -69.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -959.194795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.194795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.194795 (E_RNA) where: Base-Base interactions energy: -636.199 where: short stacking energy: -312.124 Base-Backbone interact. energy: 1.292 local terms energy: -324.288330 where: bonds (distance) C4'-P energy: -63.300 bonds (distance) P-C4' energy: -65.682 flat angles C4'-P-C4' energy: -66.753 flat angles P-C4'-P energy: -43.901 tors. eta vs tors. theta energy: -84.652 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: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -807.462896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.462896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.462896 (E_RNA) where: Base-Base interactions energy: -514.245 where: short stacking energy: -237.231 Base-Backbone interact. energy: -1.855 local terms energy: -291.363019 where: bonds (distance) C4'-P energy: -62.661 bonds (distance) P-C4' energy: -63.380 flat angles C4'-P-C4' energy: -58.199 flat angles P-C4'-P energy: -47.555 tors. eta vs tors. theta energy: -59.567 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: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -761.805286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.805286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.805286 (E_RNA) where: Base-Base interactions energy: -487.325 where: short stacking energy: -222.100 Base-Backbone interact. energy: -0.614 local terms energy: -273.867032 where: bonds (distance) C4'-P energy: -59.934 bonds (distance) P-C4' energy: -61.691 flat angles C4'-P-C4' energy: -70.017 flat angles P-C4'-P energy: -39.126 tors. eta vs tors. theta energy: -43.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -535.754367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.754367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.754367 (E_RNA) where: Base-Base interactions energy: -297.238 where: short stacking energy: -151.688 Base-Backbone interact. energy: 2.429 local terms energy: -240.945123 where: bonds (distance) C4'-P energy: -67.105 bonds (distance) P-C4' energy: -57.102 flat angles C4'-P-C4' energy: -47.294 flat angles P-C4'-P energy: -52.057 tors. eta vs tors. theta energy: -17.387 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: 147 Temperature: 1.300000 Total energy: -378.372311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.372311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.372311 (E_RNA) where: Base-Base interactions energy: -179.884 where: short stacking energy: -136.516 Base-Backbone interact. energy: 2.040 local terms energy: -200.528072 where: bonds (distance) C4'-P energy: -40.256 bonds (distance) P-C4' energy: -57.837 flat angles C4'-P-C4' energy: -56.845 flat angles P-C4'-P energy: -30.812 tors. eta vs tors. theta energy: -14.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -331.902180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.902180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.902180 (E_RNA) where: Base-Base interactions energy: -144.964 where: short stacking energy: -102.774 Base-Backbone interact. energy: 5.013 local terms energy: -191.951284 where: bonds (distance) C4'-P energy: -41.441 bonds (distance) P-C4' energy: -70.770 flat angles C4'-P-C4' energy: -56.076 flat angles P-C4'-P energy: -23.028 tors. eta vs tors. theta energy: -0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1190.455479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.455479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.455479 (E_RNA) where: Base-Base interactions energy: -806.901 where: short stacking energy: -396.899 Base-Backbone interact. energy: -1.231 local terms energy: -382.323625 where: bonds (distance) C4'-P energy: -70.608 bonds (distance) P-C4' energy: -71.415 flat angles C4'-P-C4' energy: -74.609 flat angles P-C4'-P energy: -48.157 tors. eta vs tors. theta energy: -117.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1117.052255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.052255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.052255 (E_RNA) where: Base-Base interactions energy: -747.006 where: short stacking energy: -343.639 Base-Backbone interact. energy: -1.171 local terms energy: -368.875303 where: bonds (distance) C4'-P energy: -75.906 bonds (distance) P-C4' energy: -71.605 flat angles C4'-P-C4' energy: -66.689 flat angles P-C4'-P energy: -51.964 tors. eta vs tors. theta energy: -102.711 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: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1023.064219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.064219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.064219 (E_RNA) where: Base-Base interactions energy: -663.753 where: short stacking energy: -317.216 Base-Backbone interact. energy: -1.640 local terms energy: -357.671251 where: bonds (distance) C4'-P energy: -56.742 bonds (distance) P-C4' energy: -68.478 flat angles C4'-P-C4' energy: -73.657 flat angles P-C4'-P energy: -66.582 tors. eta vs tors. theta energy: -92.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -940.009706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.009706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.009706 (E_RNA) where: Base-Base interactions energy: -613.117 where: short stacking energy: -299.150 Base-Backbone interact. energy: -0.835 local terms energy: -326.058206 where: bonds (distance) C4'-P energy: -67.147 bonds (distance) P-C4' energy: -60.007 flat angles C4'-P-C4' energy: -77.417 flat angles P-C4'-P energy: -46.087 tors. eta vs tors. theta energy: -75.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -941.184383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.184383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.184383 (E_RNA) where: Base-Base interactions energy: -611.066 where: short stacking energy: -283.029 Base-Backbone interact. energy: -0.248 local terms energy: -329.869688 where: bonds (distance) C4'-P energy: -64.699 bonds (distance) P-C4' energy: -60.669 flat angles C4'-P-C4' energy: -75.275 flat angles P-C4'-P energy: -49.704 tors. eta vs tors. theta energy: -79.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -800.502720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.502720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.502720 (E_RNA) where: Base-Base interactions energy: -511.976 where: short stacking energy: -237.590 Base-Backbone interact. energy: -1.113 local terms energy: -287.414396 where: bonds (distance) C4'-P energy: -59.628 bonds (distance) P-C4' energy: -61.993 flat angles C4'-P-C4' energy: -71.156 flat angles P-C4'-P energy: -38.410 tors. eta vs tors. theta energy: -56.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -744.694488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.694488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.694488 (E_RNA) where: Base-Base interactions energy: -459.309 where: short stacking energy: -211.020 Base-Backbone interact. energy: 0.521 local terms energy: -285.906165 where: bonds (distance) C4'-P energy: -61.247 bonds (distance) P-C4' energy: -69.054 flat angles C4'-P-C4' energy: -60.706 flat angles P-C4'-P energy: -39.201 tors. eta vs tors. theta energy: -55.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -593.932016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.932016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.932016 (E_RNA) where: Base-Base interactions energy: -352.834 where: short stacking energy: -181.637 Base-Backbone interact. energy: -1.722 local terms energy: -239.375632 where: bonds (distance) C4'-P energy: -60.953 bonds (distance) P-C4' energy: -48.801 flat angles C4'-P-C4' energy: -64.125 flat angles P-C4'-P energy: -37.578 tors. eta vs tors. theta energy: -27.918 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: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -378.425876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.425876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.425876 (E_RNA) where: Base-Base interactions energy: -162.761 where: short stacking energy: -125.004 Base-Backbone interact. energy: -2.294 local terms energy: -213.370965 where: bonds (distance) C4'-P energy: -58.162 bonds (distance) P-C4' energy: -56.223 flat angles C4'-P-C4' energy: -49.104 flat angles P-C4'-P energy: -36.106 tors. eta vs tors. theta energy: -13.776 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: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -304.714237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.714237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.714237 (E_RNA) where: Base-Base interactions energy: -138.896 where: short stacking energy: -77.483 Base-Backbone interact. energy: -0.645 local terms energy: -165.173813 where: bonds (distance) C4'-P energy: -60.088 bonds (distance) P-C4' energy: -56.819 flat angles C4'-P-C4' energy: -42.783 flat angles P-C4'-P energy: -26.711 tors. eta vs tors. theta energy: 21.228 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: 1, replica: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1168.993264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.993264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.993264 (E_RNA) where: Base-Base interactions energy: -789.811 where: short stacking energy: -366.361 Base-Backbone interact. energy: -1.958 local terms energy: -377.223686 where: bonds (distance) C4'-P energy: -68.436 bonds (distance) P-C4' energy: -67.272 flat angles C4'-P-C4' energy: -76.246 flat angles P-C4'-P energy: -50.990 tors. eta vs tors. theta energy: -114.280 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: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1123.897722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.897722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.897722 (E_RNA) where: Base-Base interactions energy: -760.655 where: short stacking energy: -355.454 Base-Backbone interact. energy: -1.014 local terms energy: -362.228179 where: bonds (distance) C4'-P energy: -63.425 bonds (distance) P-C4' energy: -70.132 flat angles C4'-P-C4' energy: -80.102 flat angles P-C4'-P energy: -46.217 tors. eta vs tors. theta energy: -102.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1023.355748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.355748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.355748 (E_RNA) where: Base-Base interactions energy: -651.068 where: short stacking energy: -321.271 Base-Backbone interact. energy: -1.097 local terms energy: -371.191082 where: bonds (distance) C4'-P energy: -69.836 bonds (distance) P-C4' energy: -70.187 flat angles C4'-P-C4' energy: -83.205 flat angles P-C4'-P energy: -51.025 tors. eta vs tors. theta energy: -96.939 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: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1013.422443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.422443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.422443 (E_RNA) where: Base-Base interactions energy: -645.745 where: short stacking energy: -311.019 Base-Backbone interact. energy: -1.372 local terms energy: -366.304964 where: bonds (distance) C4'-P energy: -71.083 bonds (distance) P-C4' energy: -73.873 flat angles C4'-P-C4' energy: -68.266 flat angles P-C4'-P energy: -55.664 tors. eta vs tors. theta energy: -97.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -873.314255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.314255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.314255 (E_RNA) where: Base-Base interactions energy: -565.527 where: short stacking energy: -268.601 Base-Backbone interact. energy: -0.445 local terms energy: -307.342936 where: bonds (distance) C4'-P energy: -64.402 bonds (distance) P-C4' energy: -65.184 flat angles C4'-P-C4' energy: -78.935 flat angles P-C4'-P energy: -32.682 tors. eta vs tors. theta energy: -66.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -810.144287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.144287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.144287 (E_RNA) where: Base-Base interactions energy: -515.127 where: short stacking energy: -235.679 Base-Backbone interact. energy: 6.792 local terms energy: -301.809309 where: bonds (distance) C4'-P energy: -66.953 bonds (distance) P-C4' energy: -65.962 flat angles C4'-P-C4' energy: -66.676 flat angles P-C4'-P energy: -46.735 tors. eta vs tors. theta energy: -55.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -763.100281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.100281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.100281 (E_RNA) where: Base-Base interactions energy: -510.043 where: short stacking energy: -226.700 Base-Backbone interact. energy: -0.557 local terms energy: -252.500710 where: bonds (distance) C4'-P energy: -43.162 bonds (distance) P-C4' energy: -54.041 flat angles C4'-P-C4' energy: -60.093 flat angles P-C4'-P energy: -41.636 tors. eta vs tors. theta energy: -53.569 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: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -593.165708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.165708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.165708 (E_RNA) where: Base-Base interactions energy: -342.728 where: short stacking energy: -173.015 Base-Backbone interact. energy: -0.527 local terms energy: -249.910413 where: bonds (distance) C4'-P energy: -55.462 bonds (distance) P-C4' energy: -59.082 flat angles C4'-P-C4' energy: -60.618 flat angles P-C4'-P energy: -40.282 tors. eta vs tors. theta energy: -34.467 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: 9, replica: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -421.549232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.549232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.549232 (E_RNA) where: Base-Base interactions energy: -196.748 where: short stacking energy: -129.037 Base-Backbone interact. energy: 3.617 local terms energy: -228.417620 where: bonds (distance) C4'-P energy: -47.805 bonds (distance) P-C4' energy: -63.704 flat angles C4'-P-C4' energy: -65.242 flat angles P-C4'-P energy: -32.252 tors. eta vs tors. theta energy: -19.414 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: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -301.089610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.089610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.089610 (E_RNA) where: Base-Base interactions energy: -124.070 where: short stacking energy: -86.266 Base-Backbone interact. energy: -0.705 local terms energy: -176.313903 where: bonds (distance) C4'-P energy: -52.691 bonds (distance) P-C4' energy: -53.896 flat angles C4'-P-C4' energy: -54.100 flat angles P-C4'-P energy: -13.979 tors. eta vs tors. theta energy: -1.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1167.491471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.491471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.491471 (E_RNA) where: Base-Base interactions energy: -789.844 where: short stacking energy: -358.071 Base-Backbone interact. energy: -2.488 local terms energy: -375.159493 where: bonds (distance) C4'-P energy: -69.862 bonds (distance) P-C4' energy: -70.194 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -51.855 tors. eta vs tors. theta energy: -109.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1107.917320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.917320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.917320 (E_RNA) where: Base-Base interactions energy: -727.445 where: short stacking energy: -346.554 Base-Backbone interact. energy: -2.075 local terms energy: -378.397215 where: bonds (distance) C4'-P energy: -72.994 bonds (distance) P-C4' energy: -65.130 flat angles C4'-P-C4' energy: -82.420 flat angles P-C4'-P energy: -56.316 tors. eta vs tors. theta energy: -101.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -999.794501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.794501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.794501 (E_RNA) where: Base-Base interactions energy: -649.660 where: short stacking energy: -307.366 Base-Backbone interact. energy: -1.481 local terms energy: -348.653050 where: bonds (distance) C4'-P energy: -58.815 bonds (distance) P-C4' energy: -68.108 flat angles C4'-P-C4' energy: -85.364 flat angles P-C4'-P energy: -55.093 tors. eta vs tors. theta energy: -81.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -989.214831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.214831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.214831 (E_RNA) where: Base-Base interactions energy: -632.344 where: short stacking energy: -299.540 Base-Backbone interact. energy: -1.389 local terms energy: -355.482055 where: bonds (distance) C4'-P energy: -60.931 bonds (distance) P-C4' energy: -77.627 flat angles C4'-P-C4' energy: -72.021 flat angles P-C4'-P energy: -52.289 tors. eta vs tors. theta energy: -92.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -877.405034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.405034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.405034 (E_RNA) where: Base-Base interactions energy: -569.591 where: short stacking energy: -287.179 Base-Backbone interact. energy: 1.828 local terms energy: -309.642139 where: bonds (distance) C4'-P energy: -60.251 bonds (distance) P-C4' energy: -72.375 flat angles C4'-P-C4' energy: -62.254 flat angles P-C4'-P energy: -39.723 tors. eta vs tors. theta energy: -75.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -823.394286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.394286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.394286 (E_RNA) where: Base-Base interactions energy: -542.864 where: short stacking energy: -260.025 Base-Backbone interact. energy: 0.493 local terms energy: -281.022468 where: bonds (distance) C4'-P energy: -64.797 bonds (distance) P-C4' energy: -57.914 flat angles C4'-P-C4' energy: -62.370 flat angles P-C4'-P energy: -40.200 tors. eta vs tors. theta energy: -55.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -753.363788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.363788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.363788 (E_RNA) where: Base-Base interactions energy: -488.030 where: short stacking energy: -231.342 Base-Backbone interact. energy: 0.183 local terms energy: -265.516965 where: bonds (distance) C4'-P energy: -58.739 bonds (distance) P-C4' energy: -58.831 flat angles C4'-P-C4' energy: -65.060 flat angles P-C4'-P energy: -34.164 tors. eta vs tors. theta energy: -48.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -612.281584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.281584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.281584 (E_RNA) where: Base-Base interactions energy: -340.593 where: short stacking energy: -178.469 Base-Backbone interact. energy: -1.172 local terms energy: -270.517430 where: bonds (distance) C4'-P energy: -70.151 bonds (distance) P-C4' energy: -63.329 flat angles C4'-P-C4' energy: -62.364 flat angles P-C4'-P energy: -28.910 tors. eta vs tors. theta energy: -45.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -428.036022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.036022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.036022 (E_RNA) where: Base-Base interactions energy: -208.351 where: short stacking energy: -144.741 Base-Backbone interact. energy: -0.584 local terms energy: -219.101088 where: bonds (distance) C4'-P energy: -52.280 bonds (distance) P-C4' energy: -70.297 flat angles C4'-P-C4' energy: -59.892 flat angles P-C4'-P energy: -23.016 tors. eta vs tors. theta energy: -13.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -346.278920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.278920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.278920 (E_RNA) where: Base-Base interactions energy: -166.397 where: short stacking energy: -87.280 Base-Backbone interact. energy: 4.770 local terms energy: -184.652039 where: bonds (distance) C4'-P energy: -53.780 bonds (distance) P-C4' energy: -66.461 flat angles C4'-P-C4' energy: -53.095 flat angles P-C4'-P energy: -23.879 tors. eta vs tors. theta energy: 12.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1166.095151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.095151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.095151 (E_RNA) where: Base-Base interactions energy: -789.461 where: short stacking energy: -359.908 Base-Backbone interact. energy: -1.455 local terms energy: -375.179700 where: bonds (distance) C4'-P energy: -69.147 bonds (distance) P-C4' energy: -71.145 flat angles C4'-P-C4' energy: -79.445 flat angles P-C4'-P energy: -51.435 tors. eta vs tors. theta energy: -104.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1109.838317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.838317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.838317 (E_RNA) where: Base-Base interactions energy: -741.068 where: short stacking energy: -344.408 Base-Backbone interact. energy: -0.047 local terms energy: -368.722367 where: bonds (distance) C4'-P energy: -66.453 bonds (distance) P-C4' energy: -72.378 flat angles C4'-P-C4' energy: -77.549 flat angles P-C4'-P energy: -55.107 tors. eta vs tors. theta energy: -97.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -999.199740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.199740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.199740 (E_RNA) where: Base-Base interactions energy: -667.342 where: short stacking energy: -324.289 Base-Backbone interact. energy: 0.574 local terms energy: -332.431824 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -66.053 flat angles C4'-P-C4' energy: -69.938 flat angles P-C4'-P energy: -39.202 tors. eta vs tors. theta energy: -96.153 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: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -961.836732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.836732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.836732 (E_RNA) where: Base-Base interactions energy: -621.008 where: short stacking energy: -272.078 Base-Backbone interact. energy: -2.457 local terms energy: -338.371898 where: bonds (distance) C4'-P energy: -70.116 bonds (distance) P-C4' energy: -73.313 flat angles C4'-P-C4' energy: -67.027 flat angles P-C4'-P energy: -49.588 tors. eta vs tors. theta energy: -78.328 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: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -911.681574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.681574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.681574 (E_RNA) where: Base-Base interactions energy: -589.275 where: short stacking energy: -275.207 Base-Backbone interact. energy: -1.222 local terms energy: -321.184906 where: bonds (distance) C4'-P energy: -60.616 bonds (distance) P-C4' energy: -65.487 flat angles C4'-P-C4' energy: -69.504 flat angles P-C4'-P energy: -47.249 tors. eta vs tors. theta energy: -78.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -819.896437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.896437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.896437 (E_RNA) where: Base-Base interactions energy: -525.293 where: short stacking energy: -246.588 Base-Backbone interact. energy: -2.191 local terms energy: -292.412500 where: bonds (distance) C4'-P energy: -71.706 bonds (distance) P-C4' energy: -61.482 flat angles C4'-P-C4' energy: -65.259 flat angles P-C4'-P energy: -33.771 tors. eta vs tors. theta energy: -60.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -732.309688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.309688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.309688 (E_RNA) where: Base-Base interactions energy: -458.436 where: short stacking energy: -225.760 Base-Backbone interact. energy: -1.010 local terms energy: -272.864167 where: bonds (distance) C4'-P energy: -53.832 bonds (distance) P-C4' energy: -71.364 flat angles C4'-P-C4' energy: -53.970 flat angles P-C4'-P energy: -38.683 tors. eta vs tors. theta energy: -55.015 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: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -586.303292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.303292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.303292 (E_RNA) where: Base-Base interactions energy: -333.081 where: short stacking energy: -185.502 Base-Backbone interact. energy: -0.423 local terms energy: -252.798665 where: bonds (distance) C4'-P energy: -52.240 bonds (distance) P-C4' energy: -57.479 flat angles C4'-P-C4' energy: -67.094 flat angles P-C4'-P energy: -37.458 tors. eta vs tors. theta energy: -38.528 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: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -435.570725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.570725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.570725 (E_RNA) where: Base-Base interactions energy: -224.679 where: short stacking energy: -121.678 Base-Backbone interact. energy: 3.175 local terms energy: -214.066556 where: bonds (distance) C4'-P energy: -56.558 bonds (distance) P-C4' energy: -61.330 flat angles C4'-P-C4' energy: -52.913 flat angles P-C4'-P energy: -35.511 tors. eta vs tors. theta energy: -7.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -306.214289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.214289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.214289 (E_RNA) where: Base-Base interactions energy: -115.661 where: short stacking energy: -106.389 Base-Backbone interact. energy: -0.582 local terms energy: -189.970656 where: bonds (distance) C4'-P energy: -44.949 bonds (distance) P-C4' energy: -63.171 flat angles C4'-P-C4' energy: -54.194 flat angles P-C4'-P energy: -34.604 tors. eta vs tors. theta energy: 6.948 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: 1, replica: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1175.015630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.015630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.015630 (E_RNA) where: Base-Base interactions energy: -806.423 where: short stacking energy: -368.827 Base-Backbone interact. energy: -0.427 local terms energy: -368.165628 where: bonds (distance) C4'-P energy: -54.352 bonds (distance) P-C4' energy: -67.662 flat angles C4'-P-C4' energy: -76.738 flat angles P-C4'-P energy: -56.030 tors. eta vs tors. theta energy: -113.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1092.188666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.188666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.188666 (E_RNA) where: Base-Base interactions energy: -728.307 where: short stacking energy: -337.156 Base-Backbone interact. energy: -0.391 local terms energy: -363.490897 where: bonds (distance) C4'-P energy: -71.128 bonds (distance) P-C4' energy: -57.772 flat angles C4'-P-C4' energy: -78.376 flat angles P-C4'-P energy: -59.009 tors. eta vs tors. theta energy: -97.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -986.414836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.414836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.414836 (E_RNA) where: Base-Base interactions energy: -643.504 where: short stacking energy: -299.387 Base-Backbone interact. energy: -0.144 local terms energy: -342.767538 where: bonds (distance) C4'-P energy: -59.070 bonds (distance) P-C4' energy: -69.032 flat angles C4'-P-C4' energy: -76.422 flat angles P-C4'-P energy: -50.496 tors. eta vs tors. theta energy: -87.747 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: 4, replica: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -975.459888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.459888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.459888 (E_RNA) where: Base-Base interactions energy: -634.567 where: short stacking energy: -295.826 Base-Backbone interact. energy: -0.884 local terms energy: -340.009568 where: bonds (distance) C4'-P energy: -67.473 bonds (distance) P-C4' energy: -59.028 flat angles C4'-P-C4' energy: -80.976 flat angles P-C4'-P energy: -52.053 tors. eta vs tors. theta energy: -80.480 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: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -931.574671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.574671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.574671 (E_RNA) where: Base-Base interactions energy: -606.199 where: short stacking energy: -295.994 Base-Backbone interact. energy: -0.106 local terms energy: -325.270284 where: bonds (distance) C4'-P energy: -59.869 bonds (distance) P-C4' energy: -63.267 flat angles C4'-P-C4' energy: -73.216 flat angles P-C4'-P energy: -50.899 tors. eta vs tors. theta energy: -78.019 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: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -800.937176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.937176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.937176 (E_RNA) where: Base-Base interactions energy: -509.366 where: short stacking energy: -238.125 Base-Backbone interact. energy: -0.187 local terms energy: -291.383565 where: bonds (distance) C4'-P energy: -65.557 bonds (distance) P-C4' energy: -56.197 flat angles C4'-P-C4' energy: -65.822 flat angles P-C4'-P energy: -38.764 tors. eta vs tors. theta energy: -65.044 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: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -719.741904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.741904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.741904 (E_RNA) where: Base-Base interactions energy: -445.814 where: short stacking energy: -210.986 Base-Backbone interact. energy: 0.856 local terms energy: -274.784573 where: bonds (distance) C4'-P energy: -57.214 bonds (distance) P-C4' energy: -62.306 flat angles C4'-P-C4' energy: -62.616 flat angles P-C4'-P energy: -47.414 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: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -568.152246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.152246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.152246 (E_RNA) where: Base-Base interactions energy: -323.465 where: short stacking energy: -164.006 Base-Backbone interact. energy: -0.451 local terms energy: -244.236229 where: bonds (distance) C4'-P energy: -52.434 bonds (distance) P-C4' energy: -76.137 flat angles C4'-P-C4' energy: -45.638 flat angles P-C4'-P energy: -47.938 tors. eta vs tors. theta energy: -22.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -415.515807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.515807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.515807 (E_RNA) where: Base-Base interactions energy: -217.781 where: short stacking energy: -118.374 Base-Backbone interact. energy: -1.995 local terms energy: -195.739430 where: bonds (distance) C4'-P energy: -47.747 bonds (distance) P-C4' energy: -60.637 flat angles C4'-P-C4' energy: -57.331 flat angles P-C4'-P energy: -33.274 tors. eta vs tors. theta energy: 3.250 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: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -278.883499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.883499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.883499 (E_RNA) where: Base-Base interactions energy: -89.516 where: short stacking energy: -74.349 Base-Backbone interact. energy: 0.084 local terms energy: -189.451537 where: bonds (distance) C4'-P energy: -64.605 bonds (distance) P-C4' energy: -56.651 flat angles C4'-P-C4' energy: -37.785 flat angles P-C4'-P energy: -33.512 tors. eta vs tors. theta energy: 3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1182.425802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.425802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.425802 (E_RNA) where: Base-Base interactions energy: -801.535 where: short stacking energy: -379.030 Base-Backbone interact. energy: -0.716 local terms energy: -380.174660 where: bonds (distance) C4'-P energy: -65.284 bonds (distance) P-C4' energy: -70.919 flat angles C4'-P-C4' energy: -80.328 flat angles P-C4'-P energy: -49.944 tors. eta vs tors. theta energy: -113.699 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: 1 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1136.098304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.098304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.098304 (E_RNA) where: Base-Base interactions energy: -754.995 where: short stacking energy: -349.887 Base-Backbone interact. energy: -0.852 local terms energy: -380.252123 where: bonds (distance) C4'-P energy: -71.307 bonds (distance) P-C4' energy: -63.019 flat angles C4'-P-C4' energy: -77.678 flat angles P-C4'-P energy: -53.640 tors. eta vs tors. theta energy: -114.608 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: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1034.698982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.698982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.698982 (E_RNA) where: Base-Base interactions energy: -686.997 where: short stacking energy: -329.384 Base-Backbone interact. energy: -0.370 local terms energy: -347.331933 where: bonds (distance) C4'-P energy: -63.169 bonds (distance) P-C4' energy: -70.630 flat angles C4'-P-C4' energy: -76.653 flat angles P-C4'-P energy: -43.807 tors. eta vs tors. theta energy: -93.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -976.270397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.270397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.270397 (E_RNA) where: Base-Base interactions energy: -657.480 where: short stacking energy: -319.261 Base-Backbone interact. energy: -0.506 local terms energy: -318.284959 where: bonds (distance) C4'-P energy: -60.871 bonds (distance) P-C4' energy: -62.003 flat angles C4'-P-C4' energy: -68.052 flat angles P-C4'-P energy: -46.891 tors. eta vs tors. theta energy: -80.468 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: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -832.402428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.402428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.402428 (E_RNA) where: Base-Base interactions energy: -526.265 where: short stacking energy: -270.430 Base-Backbone interact. energy: -0.475 local terms energy: -305.662772 where: bonds (distance) C4'-P energy: -52.231 bonds (distance) P-C4' energy: -67.655 flat angles C4'-P-C4' energy: -67.180 flat angles P-C4'-P energy: -44.732 tors. eta vs tors. theta energy: -73.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -807.735359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.735359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.735359 (E_RNA) where: Base-Base interactions energy: -527.370 where: short stacking energy: -236.917 Base-Backbone interact. energy: -2.061 local terms energy: -278.304960 where: bonds (distance) C4'-P energy: -64.816 bonds (distance) P-C4' energy: -65.056 flat angles C4'-P-C4' energy: -62.678 flat angles P-C4'-P energy: -37.181 tors. eta vs tors. theta energy: -48.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -722.013339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.013339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.013339 (E_RNA) where: Base-Base interactions energy: -443.767 where: short stacking energy: -231.137 Base-Backbone interact. energy: 0.574 local terms energy: -278.820939 where: bonds (distance) C4'-P energy: -66.122 bonds (distance) P-C4' energy: -60.640 flat angles C4'-P-C4' energy: -63.151 flat angles P-C4'-P energy: -32.895 tors. eta vs tors. theta energy: -56.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -559.052817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.052817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.052817 (E_RNA) where: Base-Base interactions energy: -318.195 where: short stacking energy: -160.078 Base-Backbone interact. energy: 1.740 local terms energy: -242.597767 where: bonds (distance) C4'-P energy: -61.711 bonds (distance) P-C4' energy: -62.592 flat angles C4'-P-C4' energy: -51.124 flat angles P-C4'-P energy: -31.769 tors. eta vs tors. theta energy: -35.402 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: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -433.847966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.847966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.847966 (E_RNA) where: Base-Base interactions energy: -237.298 where: short stacking energy: -133.647 Base-Backbone interact. energy: -0.956 local terms energy: -195.593631 where: bonds (distance) C4'-P energy: -50.935 bonds (distance) P-C4' energy: -51.793 flat angles C4'-P-C4' energy: -62.082 flat angles P-C4'-P energy: -33.808 tors. eta vs tors. theta energy: 3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -315.093963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.093963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.093963 (E_RNA) where: Base-Base interactions energy: -117.293 where: short stacking energy: -87.274 Base-Backbone interact. energy: -2.636 local terms energy: -195.164952 where: bonds (distance) C4'-P energy: -63.938 bonds (distance) P-C4' energy: -66.349 flat angles C4'-P-C4' energy: -45.905 flat angles P-C4'-P energy: -22.877 tors. eta vs tors. theta energy: 3.904 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: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1151.937711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.937711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.937711 (E_RNA) where: Base-Base interactions energy: -778.032 where: short stacking energy: -362.983 Base-Backbone interact. energy: -0.578 local terms energy: -373.328036 where: bonds (distance) C4'-P energy: -65.117 bonds (distance) P-C4' energy: -75.974 flat angles C4'-P-C4' energy: -70.193 flat angles P-C4'-P energy: -55.184 tors. eta vs tors. theta energy: -106.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1153.543469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.543469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.543469 (E_RNA) where: Base-Base interactions energy: -759.427 where: short stacking energy: -349.127 Base-Backbone interact. energy: -1.598 local terms energy: -392.518757 where: bonds (distance) C4'-P energy: -70.176 bonds (distance) P-C4' energy: -77.837 flat angles C4'-P-C4' energy: -82.582 flat angles P-C4'-P energy: -51.496 tors. eta vs tors. theta energy: -110.427 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: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1025.766952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.766952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.766952 (E_RNA) where: Base-Base interactions energy: -661.069 where: short stacking energy: -313.470 Base-Backbone interact. energy: -0.600 local terms energy: -364.097179 where: bonds (distance) C4'-P energy: -71.022 bonds (distance) P-C4' energy: -74.723 flat angles C4'-P-C4' energy: -69.756 flat angles P-C4'-P energy: -57.305 tors. eta vs tors. theta energy: -91.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -961.840024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.840024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.840024 (E_RNA) where: Base-Base interactions energy: -633.942 where: short stacking energy: -298.543 Base-Backbone interact. energy: -0.684 local terms energy: -327.214389 where: bonds (distance) C4'-P energy: -66.678 bonds (distance) P-C4' energy: -65.229 flat angles C4'-P-C4' energy: -67.904 flat angles P-C4'-P energy: -40.085 tors. eta vs tors. theta energy: -87.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -823.881366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.881366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.881366 (E_RNA) where: Base-Base interactions energy: -526.393 where: short stacking energy: -252.759 Base-Backbone interact. energy: -1.116 local terms energy: -296.371514 where: bonds (distance) C4'-P energy: -46.699 bonds (distance) P-C4' energy: -65.316 flat angles C4'-P-C4' energy: -70.466 flat angles P-C4'-P energy: -45.557 tors. eta vs tors. theta energy: -68.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -810.649088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.649088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.649088 (E_RNA) where: Base-Base interactions energy: -521.377 where: short stacking energy: -234.353 Base-Backbone interact. energy: 1.610 local terms energy: -290.882837 where: bonds (distance) C4'-P energy: -61.682 bonds (distance) P-C4' energy: -74.723 flat angles C4'-P-C4' energy: -63.408 flat angles P-C4'-P energy: -29.730 tors. eta vs tors. theta energy: -61.341 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: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -751.679448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.679448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.679448 (E_RNA) where: Base-Base interactions energy: -478.027 where: short stacking energy: -235.582 Base-Backbone interact. energy: -0.897 local terms energy: -272.755339 where: bonds (distance) C4'-P energy: -56.963 bonds (distance) P-C4' energy: -61.548 flat angles C4'-P-C4' energy: -58.374 flat angles P-C4'-P energy: -41.418 tors. eta vs tors. theta energy: -54.453 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: 8, replica: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -578.649069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.649069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.649069 (E_RNA) where: Base-Base interactions energy: -305.067 where: short stacking energy: -162.710 Base-Backbone interact. energy: -0.980 local terms energy: -272.602404 where: bonds (distance) C4'-P energy: -59.036 bonds (distance) P-C4' energy: -59.810 flat angles C4'-P-C4' energy: -71.780 flat angles P-C4'-P energy: -44.971 tors. eta vs tors. theta energy: -37.006 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: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -451.422494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.422494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.422494 (E_RNA) where: Base-Base interactions energy: -247.474 where: short stacking energy: -123.380 Base-Backbone interact. energy: -1.130 local terms energy: -202.819293 where: bonds (distance) C4'-P energy: -53.895 bonds (distance) P-C4' energy: -57.175 flat angles C4'-P-C4' energy: -58.631 flat angles P-C4'-P energy: -22.506 tors. eta vs tors. theta energy: -10.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -309.014869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.014869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.014869 (E_RNA) where: Base-Base interactions energy: -121.464 where: short stacking energy: -79.522 Base-Backbone interact. energy: -0.619 local terms energy: -186.931291 where: bonds (distance) C4'-P energy: -48.429 bonds (distance) P-C4' energy: -54.595 flat angles C4'-P-C4' energy: -55.216 flat angles P-C4'-P energy: -27.434 tors. eta vs tors. theta energy: -1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1152.812560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.812560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.812560 (E_RNA) where: Base-Base interactions energy: -772.410 where: short stacking energy: -369.421 Base-Backbone interact. energy: 0.316 local terms energy: -380.718267 where: bonds (distance) C4'-P energy: -66.332 bonds (distance) P-C4' energy: -73.782 flat angles C4'-P-C4' energy: -82.940 flat angles P-C4'-P energy: -58.211 tors. eta vs tors. theta energy: -99.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1133.823863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.823863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.823863 (E_RNA) where: Base-Base interactions energy: -762.085 where: short stacking energy: -360.917 Base-Backbone interact. energy: -2.630 local terms energy: -369.108851 where: bonds (distance) C4'-P energy: -57.919 bonds (distance) P-C4' energy: -78.977 flat angles C4'-P-C4' energy: -76.965 flat angles P-C4'-P energy: -50.114 tors. eta vs tors. theta energy: -105.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1027.148742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.148742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.148742 (E_RNA) where: Base-Base interactions energy: -682.664 where: short stacking energy: -329.218 Base-Backbone interact. energy: -0.951 local terms energy: -343.533689 where: bonds (distance) C4'-P energy: -57.521 bonds (distance) P-C4' energy: -65.112 flat angles C4'-P-C4' energy: -79.059 flat angles P-C4'-P energy: -45.186 tors. eta vs tors. theta energy: -96.655 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: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -949.668772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.668772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.668772 (E_RNA) where: Base-Base interactions energy: -614.480 where: short stacking energy: -286.007 Base-Backbone interact. energy: -1.075 local terms energy: -334.113868 where: bonds (distance) C4'-P energy: -68.578 bonds (distance) P-C4' energy: -71.083 flat angles C4'-P-C4' energy: -67.809 flat angles P-C4'-P energy: -49.128 tors. eta vs tors. theta energy: -77.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -839.807832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.807832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.807832 (E_RNA) where: Base-Base interactions energy: -556.995 where: short stacking energy: -263.871 Base-Backbone interact. energy: -0.856 local terms energy: -281.957036 where: bonds (distance) C4'-P energy: -59.416 bonds (distance) P-C4' energy: -52.386 flat angles C4'-P-C4' energy: -53.469 flat angles P-C4'-P energy: -40.941 tors. eta vs tors. theta energy: -75.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -840.164115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.164115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.164115 (E_RNA) where: Base-Base interactions energy: -540.713 where: short stacking energy: -243.390 Base-Backbone interact. energy: -0.395 local terms energy: -299.056607 where: bonds (distance) C4'-P energy: -63.616 bonds (distance) P-C4' energy: -72.630 flat angles C4'-P-C4' energy: -66.334 flat angles P-C4'-P energy: -30.768 tors. eta vs tors. theta energy: -65.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -711.179683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.179683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.179683 (E_RNA) where: Base-Base interactions energy: -438.642 where: short stacking energy: -210.759 Base-Backbone interact. energy: -1.505 local terms energy: -271.032899 where: bonds (distance) C4'-P energy: -56.786 bonds (distance) P-C4' energy: -73.768 flat angles C4'-P-C4' energy: -53.539 flat angles P-C4'-P energy: -41.854 tors. eta vs tors. theta energy: -45.086 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: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -584.552535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.552535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.552535 (E_RNA) where: Base-Base interactions energy: -334.699 where: short stacking energy: -182.936 Base-Backbone interact. energy: -1.651 local terms energy: -248.202256 where: bonds (distance) C4'-P energy: -61.848 bonds (distance) P-C4' energy: -58.944 flat angles C4'-P-C4' energy: -39.262 flat angles P-C4'-P energy: -46.507 tors. eta vs tors. theta energy: -41.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -457.298924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.298924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.298924 (E_RNA) where: Base-Base interactions energy: -266.466 where: short stacking energy: -126.077 Base-Backbone interact. energy: 1.234 local terms energy: -192.066896 where: bonds (distance) C4'-P energy: -51.099 bonds (distance) P-C4' energy: -56.012 flat angles C4'-P-C4' energy: -49.699 flat angles P-C4'-P energy: -34.409 tors. eta vs tors. theta energy: -0.848 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: 10, replica: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -333.058290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.058290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.058290 (E_RNA) where: Base-Base interactions energy: -152.671 where: short stacking energy: -98.195 Base-Backbone interact. energy: 1.565 local terms energy: -181.952956 where: bonds (distance) C4'-P energy: -55.718 bonds (distance) P-C4' energy: -50.267 flat angles C4'-P-C4' energy: -49.662 flat angles P-C4'-P energy: -28.038 tors. eta vs tors. theta energy: 1.732 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: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1157.445920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.445920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.445920 (E_RNA) where: Base-Base interactions energy: -775.348 where: short stacking energy: -367.354 Base-Backbone interact. energy: 0.144 local terms energy: -382.242644 where: bonds (distance) C4'-P energy: -66.567 bonds (distance) P-C4' energy: -66.265 flat angles C4'-P-C4' energy: -80.167 flat angles P-C4'-P energy: -60.909 tors. eta vs tors. theta energy: -108.335 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: 2, replica: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1143.298330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.298330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.298330 (E_RNA) where: Base-Base interactions energy: -777.010 where: short stacking energy: -365.084 Base-Backbone interact. energy: 0.809 local terms energy: -367.097060 where: bonds (distance) C4'-P energy: -64.748 bonds (distance) P-C4' energy: -75.543 flat angles C4'-P-C4' energy: -74.638 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: -101.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1039.979108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.979108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.979108 (E_RNA) where: Base-Base interactions energy: -684.537 where: short stacking energy: -331.149 Base-Backbone interact. energy: 0.273 local terms energy: -355.714458 where: bonds (distance) C4'-P energy: -72.503 bonds (distance) P-C4' energy: -68.938 flat angles C4'-P-C4' energy: -78.389 flat angles P-C4'-P energy: -40.536 tors. eta vs tors. theta energy: -95.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -961.929207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.929207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.929207 (E_RNA) where: Base-Base interactions energy: -637.310 where: short stacking energy: -309.639 Base-Backbone interact. energy: -0.783 local terms energy: -323.836989 where: bonds (distance) C4'-P energy: -62.168 bonds (distance) P-C4' energy: -62.199 flat angles C4'-P-C4' energy: -79.737 flat angles P-C4'-P energy: -41.049 tors. eta vs tors. theta energy: -78.685 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: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -878.456459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.456459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.456459 (E_RNA) where: Base-Base interactions energy: -562.310 where: short stacking energy: -272.181 Base-Backbone interact. energy: -1.439 local terms energy: -314.707945 where: bonds (distance) C4'-P energy: -64.670 bonds (distance) P-C4' energy: -71.768 flat angles C4'-P-C4' energy: -67.252 flat angles P-C4'-P energy: -34.271 tors. eta vs tors. theta energy: -76.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -792.099913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.099913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.099913 (E_RNA) where: Base-Base interactions energy: -503.376 where: short stacking energy: -244.028 Base-Backbone interact. energy: -1.803 local terms energy: -286.920865 where: bonds (distance) C4'-P energy: -53.068 bonds (distance) P-C4' energy: -59.533 flat angles C4'-P-C4' energy: -62.926 flat angles P-C4'-P energy: -47.520 tors. eta vs tors. theta energy: -63.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -672.535049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.535049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.535049 (E_RNA) where: Base-Base interactions energy: -410.000 where: short stacking energy: -218.241 Base-Backbone interact. energy: 2.865 local terms energy: -265.400196 where: bonds (distance) C4'-P energy: -53.632 bonds (distance) P-C4' energy: -73.282 flat angles C4'-P-C4' energy: -69.494 flat angles P-C4'-P energy: -25.808 tors. eta vs tors. theta energy: -43.185 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: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -584.976796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.976796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.976796 (E_RNA) where: Base-Base interactions energy: -334.027 where: short stacking energy: -183.620 Base-Backbone interact. energy: -0.879 local terms energy: -250.070416 where: bonds (distance) C4'-P energy: -54.271 bonds (distance) P-C4' energy: -60.855 flat angles C4'-P-C4' energy: -59.419 flat angles P-C4'-P energy: -37.909 tors. eta vs tors. theta energy: -37.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -488.639877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.639877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.639877 (E_RNA) where: Base-Base interactions energy: -273.692 where: short stacking energy: -123.914 Base-Backbone interact. energy: -0.830 local terms energy: -214.118374 where: bonds (distance) C4'-P energy: -64.862 bonds (distance) P-C4' energy: -60.878 flat angles C4'-P-C4' energy: -45.701 flat angles P-C4'-P energy: -27.497 tors. eta vs tors. theta energy: -15.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -282.016733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.016733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.016733 (E_RNA) where: Base-Base interactions energy: -100.930 where: short stacking energy: -100.069 Base-Backbone interact. energy: -0.699 local terms energy: -180.386954 where: bonds (distance) C4'-P energy: -55.583 bonds (distance) P-C4' energy: -54.311 flat angles C4'-P-C4' energy: -51.677 flat angles P-C4'-P energy: -29.513 tors. eta vs tors. theta energy: 10.697 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: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1174.650780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.650780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.650780 (E_RNA) where: Base-Base interactions energy: -793.535 where: short stacking energy: -384.585 Base-Backbone interact. energy: -1.201 local terms energy: -379.914291 where: bonds (distance) C4'-P energy: -63.381 bonds (distance) P-C4' energy: -74.582 flat angles C4'-P-C4' energy: -73.450 flat angles P-C4'-P energy: -54.503 tors. eta vs tors. theta energy: -113.999 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: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1136.336596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.336596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.336596 (E_RNA) where: Base-Base interactions energy: -793.030 where: short stacking energy: -357.744 Base-Backbone interact. energy: 0.676 local terms energy: -343.982600 where: bonds (distance) C4'-P energy: -59.036 bonds (distance) P-C4' energy: -68.440 flat angles C4'-P-C4' energy: -68.173 flat angles P-C4'-P energy: -47.615 tors. eta vs tors. theta energy: -100.719 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: 157 Temperature: 1.000000 Total energy: -1016.330832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.330832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.330832 (E_RNA) where: Base-Base interactions energy: -661.140 where: short stacking energy: -329.646 Base-Backbone interact. energy: -1.870 local terms energy: -353.321022 where: bonds (distance) C4'-P energy: -64.511 bonds (distance) P-C4' energy: -73.397 flat angles C4'-P-C4' energy: -73.283 flat angles P-C4'-P energy: -52.321 tors. eta vs tors. theta energy: -89.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -976.746113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.746113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.746113 (E_RNA) where: Base-Base interactions energy: -646.956 where: short stacking energy: -312.915 Base-Backbone interact. energy: -0.119 local terms energy: -329.670798 where: bonds (distance) C4'-P energy: -70.989 bonds (distance) P-C4' energy: -56.235 flat angles C4'-P-C4' energy: -70.408 flat angles P-C4'-P energy: -49.385 tors. eta vs tors. theta energy: -82.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -894.818144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.818144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.818144 (E_RNA) where: Base-Base interactions energy: -586.779 where: short stacking energy: -277.066 Base-Backbone interact. energy: 0.531 local terms energy: -308.570687 where: bonds (distance) C4'-P energy: -65.392 bonds (distance) P-C4' energy: -57.766 flat angles C4'-P-C4' energy: -75.476 flat angles P-C4'-P energy: -38.978 tors. eta vs tors. theta energy: -70.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -744.388462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.388462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.388462 (E_RNA) where: Base-Base interactions energy: -486.389 where: short stacking energy: -213.805 Base-Backbone interact. energy: 0.081 local terms energy: -258.080302 where: bonds (distance) C4'-P energy: -58.140 bonds (distance) P-C4' energy: -68.809 flat angles C4'-P-C4' energy: -58.431 flat angles P-C4'-P energy: -24.499 tors. eta vs tors. theta energy: -48.201 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: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -720.799781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.799781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.799781 (E_RNA) where: Base-Base interactions energy: -432.043 where: short stacking energy: -211.556 Base-Backbone interact. energy: -0.780 local terms energy: -287.976693 where: bonds (distance) C4'-P energy: -65.025 bonds (distance) P-C4' energy: -61.300 flat angles C4'-P-C4' energy: -65.189 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -54.984 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: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -633.407406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.407406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.407406 (E_RNA) where: Base-Base interactions energy: -382.649 where: short stacking energy: -214.362 Base-Backbone interact. energy: 1.375 local terms energy: -252.133375 where: bonds (distance) C4'-P energy: -54.908 bonds (distance) P-C4' energy: -50.185 flat angles C4'-P-C4' energy: -63.000 flat angles P-C4'-P energy: -40.902 tors. eta vs tors. theta energy: -43.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -466.784344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.784344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.784344 (E_RNA) where: Base-Base interactions energy: -247.153 where: short stacking energy: -131.003 Base-Backbone interact. energy: 0.175 local terms energy: -219.805714 where: bonds (distance) C4'-P energy: -64.558 bonds (distance) P-C4' energy: -56.938 flat angles C4'-P-C4' energy: -54.108 flat angles P-C4'-P energy: -39.379 tors. eta vs tors. theta energy: -4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -305.053375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.053375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.053375 (E_RNA) where: Base-Base interactions energy: -106.876 where: short stacking energy: -76.342 Base-Backbone interact. energy: -1.332 local terms energy: -196.845237 where: bonds (distance) C4'-P energy: -61.524 bonds (distance) P-C4' energy: -65.421 flat angles C4'-P-C4' energy: -56.497 flat angles P-C4'-P energy: -31.883 tors. eta vs tors. theta energy: 18.479 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: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1152.716874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.716874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.716874 (E_RNA) where: Base-Base interactions energy: -786.874 where: short stacking energy: -368.831 Base-Backbone interact. energy: -0.236 local terms energy: -365.606292 where: bonds (distance) C4'-P energy: -73.216 bonds (distance) P-C4' energy: -72.635 flat angles C4'-P-C4' energy: -65.767 flat angles P-C4'-P energy: -51.072 tors. eta vs tors. theta energy: -102.916 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: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1140.452041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.452041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.452041 (E_RNA) where: Base-Base interactions energy: -772.478 where: short stacking energy: -352.624 Base-Backbone interact. energy: 0.144 local terms energy: -368.118187 where: bonds (distance) C4'-P energy: -64.709 bonds (distance) P-C4' energy: -72.878 flat angles C4'-P-C4' energy: -80.375 flat angles P-C4'-P energy: -52.950 tors. eta vs tors. theta energy: -97.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -990.240706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.240706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.240706 (E_RNA) where: Base-Base interactions energy: -659.426 where: short stacking energy: -323.503 Base-Backbone interact. energy: 0.727 local terms energy: -331.541644 where: bonds (distance) C4'-P energy: -62.224 bonds (distance) P-C4' energy: -63.551 flat angles C4'-P-C4' energy: -78.489 flat angles P-C4'-P energy: -45.046 tors. eta vs tors. theta energy: -82.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1026.105174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.105174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.105174 (E_RNA) where: Base-Base interactions energy: -672.983 where: short stacking energy: -320.792 Base-Backbone interact. energy: -0.660 local terms energy: -352.462827 where: bonds (distance) C4'-P energy: -75.452 bonds (distance) P-C4' energy: -66.570 flat angles C4'-P-C4' energy: -74.106 flat angles P-C4'-P energy: -43.317 tors. eta vs tors. theta energy: -93.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -883.951521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.951521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.951521 (E_RNA) where: Base-Base interactions energy: -574.303 where: short stacking energy: -270.954 Base-Backbone interact. energy: 0.078 local terms energy: -309.726114 where: bonds (distance) C4'-P energy: -55.844 bonds (distance) P-C4' energy: -72.858 flat angles C4'-P-C4' energy: -69.489 flat angles P-C4'-P energy: -34.558 tors. eta vs tors. theta energy: -76.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -743.811697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.811697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.811697 (E_RNA) where: Base-Base interactions energy: -463.124 where: short stacking energy: -231.487 Base-Backbone interact. energy: 0.006 local terms energy: -280.694033 where: bonds (distance) C4'-P energy: -56.332 bonds (distance) P-C4' energy: -67.920 flat angles C4'-P-C4' energy: -72.571 flat angles P-C4'-P energy: -33.236 tors. eta vs tors. theta energy: -50.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -714.481028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.481028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.481028 (E_RNA) where: Base-Base interactions energy: -450.773 where: short stacking energy: -247.149 Base-Backbone interact. energy: -1.491 local terms energy: -262.217725 where: bonds (distance) C4'-P energy: -52.639 bonds (distance) P-C4' energy: -54.123 flat angles C4'-P-C4' energy: -66.084 flat angles P-C4'-P energy: -32.312 tors. eta vs tors. theta energy: -57.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -578.529715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.529715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.529715 (E_RNA) where: Base-Base interactions energy: -346.540 where: short stacking energy: -188.637 Base-Backbone interact. energy: -0.837 local terms energy: -231.152507 where: bonds (distance) C4'-P energy: -46.240 bonds (distance) P-C4' energy: -63.006 flat angles C4'-P-C4' energy: -58.747 flat angles P-C4'-P energy: -30.327 tors. eta vs tors. theta energy: -32.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -527.545350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.545350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.545350 (E_RNA) where: Base-Base interactions energy: -308.454 where: short stacking energy: -147.297 Base-Backbone interact. energy: -0.732 local terms energy: -218.358656 where: bonds (distance) C4'-P energy: -49.494 bonds (distance) P-C4' energy: -64.354 flat angles C4'-P-C4' energy: -59.512 flat angles P-C4'-P energy: -31.347 tors. eta vs tors. theta energy: -13.651 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: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -281.383124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.383124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.383124 (E_RNA) where: Base-Base interactions energy: -98.536 where: short stacking energy: -74.770 Base-Backbone interact. energy: -0.236 local terms energy: -182.611416 where: bonds (distance) C4'-P energy: -57.816 bonds (distance) P-C4' energy: -69.904 flat angles C4'-P-C4' energy: -48.535 flat angles P-C4'-P energy: -27.902 tors. eta vs tors. theta energy: 21.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1159.838896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.838896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.838896 (E_RNA) where: Base-Base interactions energy: -786.320 where: short stacking energy: -368.134 Base-Backbone interact. energy: -0.127 local terms energy: -373.392048 where: bonds (distance) C4'-P energy: -64.006 bonds (distance) P-C4' energy: -70.980 flat angles C4'-P-C4' energy: -81.765 flat angles P-C4'-P energy: -54.305 tors. eta vs tors. theta energy: -102.336 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: 159 Temperature: 0.950000 Total energy: -1127.495315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.495315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.495315 (E_RNA) where: Base-Base interactions energy: -765.721 where: short stacking energy: -350.273 Base-Backbone interact. energy: -1.039 local terms energy: -360.735001 where: bonds (distance) C4'-P energy: -74.472 bonds (distance) P-C4' energy: -62.735 flat angles C4'-P-C4' energy: -75.429 flat angles P-C4'-P energy: -51.003 tors. eta vs tors. theta energy: -97.096 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: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -993.542596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.542596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.542596 (E_RNA) where: Base-Base interactions energy: -655.942 where: short stacking energy: -328.274 Base-Backbone interact. energy: -0.858 local terms energy: -336.743514 where: bonds (distance) C4'-P energy: -53.046 bonds (distance) P-C4' energy: -66.846 flat angles C4'-P-C4' energy: -76.049 flat angles P-C4'-P energy: -45.868 tors. eta vs tors. theta energy: -94.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1009.434234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.434234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.434234 (E_RNA) where: Base-Base interactions energy: -678.460 where: short stacking energy: -321.216 Base-Backbone interact. energy: -0.926 local terms energy: -330.048434 where: bonds (distance) C4'-P energy: -65.225 bonds (distance) P-C4' energy: -61.887 flat angles C4'-P-C4' energy: -67.886 flat angles P-C4'-P energy: -45.308 tors. eta vs tors. theta energy: -89.742 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: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -855.993054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.993054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.993054 (E_RNA) where: Base-Base interactions energy: -569.693 where: short stacking energy: -271.165 Base-Backbone interact. energy: -1.990 local terms energy: -284.310606 where: bonds (distance) C4'-P energy: -52.729 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -57.399 flat angles P-C4'-P energy: -44.214 tors. eta vs tors. theta energy: -63.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -714.970132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.970132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.970132 (E_RNA) where: Base-Base interactions energy: -448.335 where: short stacking energy: -196.902 Base-Backbone interact. energy: -1.051 local terms energy: -265.583202 where: bonds (distance) C4'-P energy: -55.196 bonds (distance) P-C4' energy: -66.271 flat angles C4'-P-C4' energy: -52.951 flat angles P-C4'-P energy: -42.865 tors. eta vs tors. theta energy: -48.300 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: 5 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -686.009938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.009938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.009938 (E_RNA) where: Base-Base interactions energy: -434.388 where: short stacking energy: -215.142 Base-Backbone interact. energy: -0.110 local terms energy: -251.511382 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -61.095 flat angles C4'-P-C4' energy: -56.954 flat angles P-C4'-P energy: -26.827 tors. eta vs tors. theta energy: -50.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -600.743010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.743010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.743010 (E_RNA) where: Base-Base interactions energy: -338.737 where: short stacking energy: -174.195 Base-Backbone interact. energy: 1.500 local terms energy: -263.506087 where: bonds (distance) C4'-P energy: -54.129 bonds (distance) P-C4' energy: -71.635 flat angles C4'-P-C4' energy: -60.233 flat angles P-C4'-P energy: -38.544 tors. eta vs tors. theta energy: -38.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -525.664526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.664526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.664526 (E_RNA) where: Base-Base interactions energy: -296.311 where: short stacking energy: -144.951 Base-Backbone interact. energy: 0.835 local terms energy: -230.188647 where: bonds (distance) C4'-P energy: -61.751 bonds (distance) P-C4' energy: -61.079 flat angles C4'-P-C4' energy: -58.991 flat angles P-C4'-P energy: -32.384 tors. eta vs tors. theta energy: -15.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -289.732173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.732173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.732173 (E_RNA) where: Base-Base interactions energy: -96.642 where: short stacking energy: -91.831 Base-Backbone interact. energy: 0.461 local terms energy: -193.551605 where: bonds (distance) C4'-P energy: -53.009 bonds (distance) P-C4' energy: -60.804 flat angles C4'-P-C4' energy: -45.447 flat angles P-C4'-P energy: -35.644 tors. eta vs tors. theta energy: 1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1148.171481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.171481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.171481 (E_RNA) where: Base-Base interactions energy: -770.868 where: short stacking energy: -370.055 Base-Backbone interact. energy: -0.148 local terms energy: -377.155915 where: bonds (distance) C4'-P energy: -71.424 bonds (distance) P-C4' energy: -73.069 flat angles C4'-P-C4' energy: -74.537 flat angles P-C4'-P energy: -55.082 tors. eta vs tors. theta energy: -103.044 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: 160 Temperature: 0.950000 Total energy: -1118.607036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.607036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.607036 (E_RNA) where: Base-Base interactions energy: -777.952 where: short stacking energy: -343.021 Base-Backbone interact. energy: -0.785 local terms energy: -339.870277 where: bonds (distance) C4'-P energy: -57.288 bonds (distance) P-C4' energy: -74.011 flat angles C4'-P-C4' energy: -72.568 flat angles P-C4'-P energy: -41.496 tors. eta vs tors. theta energy: -94.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1030.010094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.010094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.010094 (E_RNA) where: Base-Base interactions energy: -685.113 where: short stacking energy: -340.368 Base-Backbone interact. energy: -0.682 local terms energy: -344.215026 where: bonds (distance) C4'-P energy: -54.571 bonds (distance) P-C4' energy: -75.279 flat angles C4'-P-C4' energy: -76.633 flat angles P-C4'-P energy: -41.857 tors. eta vs tors. theta energy: -95.876 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: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -956.257994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.257994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.257994 (E_RNA) where: Base-Base interactions energy: -641.050 where: short stacking energy: -313.016 Base-Backbone interact. energy: -0.427 local terms energy: -314.781116 where: bonds (distance) C4'-P energy: -60.056 bonds (distance) P-C4' energy: -63.176 flat angles C4'-P-C4' energy: -68.588 flat angles P-C4'-P energy: -46.539 tors. eta vs tors. theta energy: -76.422 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: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -856.010533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.010533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.010533 (E_RNA) where: Base-Base interactions energy: -540.973 where: short stacking energy: -249.698 Base-Backbone interact. energy: -2.246 local terms energy: -312.791736 where: bonds (distance) C4'-P energy: -65.614 bonds (distance) P-C4' energy: -64.696 flat angles C4'-P-C4' energy: -68.553 flat angles P-C4'-P energy: -47.447 tors. eta vs tors. theta energy: -66.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -727.744032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.744032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.744032 (E_RNA) where: Base-Base interactions energy: -449.362 where: short stacking energy: -219.696 Base-Backbone interact. energy: 0.383 local terms energy: -278.764829 where: bonds (distance) C4'-P energy: -48.991 bonds (distance) P-C4' energy: -63.001 flat angles C4'-P-C4' energy: -63.789 flat angles P-C4'-P energy: -48.337 tors. eta vs tors. theta energy: -54.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -671.678903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.678903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.678903 (E_RNA) where: Base-Base interactions energy: -426.543 where: short stacking energy: -202.165 Base-Backbone interact. energy: 4.698 local terms energy: -249.834365 where: bonds (distance) C4'-P energy: -44.006 bonds (distance) P-C4' energy: -69.289 flat angles C4'-P-C4' energy: -61.364 flat angles P-C4'-P energy: -38.864 tors. eta vs tors. theta energy: -36.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -563.392024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.392024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.392024 (E_RNA) where: Base-Base interactions energy: -330.683 where: short stacking energy: -178.971 Base-Backbone interact. energy: -1.245 local terms energy: -231.464320 where: bonds (distance) C4'-P energy: -46.106 bonds (distance) P-C4' energy: -61.463 flat angles C4'-P-C4' energy: -56.112 flat angles P-C4'-P energy: -32.452 tors. eta vs tors. theta energy: -35.332 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: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -456.982425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.982425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.982425 (E_RNA) where: Base-Base interactions energy: -236.973 where: short stacking energy: -135.421 Base-Backbone interact. energy: 0.203 local terms energy: -220.212802 where: bonds (distance) C4'-P energy: -50.963 bonds (distance) P-C4' energy: -62.457 flat angles C4'-P-C4' energy: -64.783 flat angles P-C4'-P energy: -36.478 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -277.044387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.044387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.044387 (E_RNA) where: Base-Base interactions energy: -90.259 where: short stacking energy: -70.919 Base-Backbone interact. energy: -0.660 local terms energy: -186.126020 where: bonds (distance) C4'-P energy: -50.779 bonds (distance) P-C4' energy: -72.800 flat angles C4'-P-C4' energy: -46.719 flat angles P-C4'-P energy: -31.081 tors. eta vs tors. theta energy: 15.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1159.549681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.549681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.549681 (E_RNA) where: Base-Base interactions energy: -781.189 where: short stacking energy: -377.562 Base-Backbone interact. energy: -0.853 local terms energy: -377.507498 where: bonds (distance) C4'-P energy: -63.959 bonds (distance) P-C4' energy: -65.293 flat angles C4'-P-C4' energy: -84.536 flat angles P-C4'-P energy: -55.981 tors. eta vs tors. theta energy: -107.737 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: 161 Temperature: 0.950000 Total energy: -1125.278354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.278354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.278354 (E_RNA) where: Base-Base interactions energy: -752.644 where: short stacking energy: -357.762 Base-Backbone interact. energy: 0.518 local terms energy: -373.152348 where: bonds (distance) C4'-P energy: -64.813 bonds (distance) P-C4' energy: -75.068 flat angles C4'-P-C4' energy: -71.288 flat angles P-C4'-P energy: -52.402 tors. eta vs tors. theta energy: -109.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1003.537820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.537820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.537820 (E_RNA) where: Base-Base interactions energy: -658.291 where: short stacking energy: -322.413 Base-Backbone interact. energy: -1.299 local terms energy: -343.947310 where: bonds (distance) C4'-P energy: -64.016 bonds (distance) P-C4' energy: -78.376 flat angles C4'-P-C4' energy: -70.324 flat angles P-C4'-P energy: -40.839 tors. eta vs tors. theta energy: -90.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -871.340841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.340841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.340841 (E_RNA) where: Base-Base interactions energy: -570.237 where: short stacking energy: -260.398 Base-Backbone interact. energy: -1.404 local terms energy: -299.699589 where: bonds (distance) C4'-P energy: -61.314 bonds (distance) P-C4' energy: -65.544 flat angles C4'-P-C4' energy: -71.030 flat angles P-C4'-P energy: -41.362 tors. eta vs tors. theta energy: -60.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -919.766255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.766255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.766255 (E_RNA) where: Base-Base interactions energy: -608.109 where: short stacking energy: -283.545 Base-Backbone interact. energy: 1.980 local terms energy: -313.636642 where: bonds (distance) C4'-P energy: -59.813 bonds (distance) P-C4' energy: -67.731 flat angles C4'-P-C4' energy: -64.945 flat angles P-C4'-P energy: -45.777 tors. eta vs tors. theta energy: -75.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -737.314946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.314946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.314946 (E_RNA) where: Base-Base interactions energy: -451.267 where: short stacking energy: -223.262 Base-Backbone interact. energy: -1.441 local terms energy: -284.607507 where: bonds (distance) C4'-P energy: -45.007 bonds (distance) P-C4' energy: -66.427 flat angles C4'-P-C4' energy: -71.881 flat angles P-C4'-P energy: -46.476 tors. eta vs tors. theta energy: -54.816 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: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -704.669360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.669360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.669360 (E_RNA) where: Base-Base interactions energy: -441.877 where: short stacking energy: -203.263 Base-Backbone interact. energy: -0.586 local terms energy: -262.206969 where: bonds (distance) C4'-P energy: -42.010 bonds (distance) P-C4' energy: -68.807 flat angles C4'-P-C4' energy: -62.306 flat angles P-C4'-P energy: -33.132 tors. eta vs tors. theta energy: -55.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -552.296102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.296102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.296102 (E_RNA) where: Base-Base interactions energy: -323.028 where: short stacking energy: -175.254 Base-Backbone interact. energy: -1.402 local terms energy: -227.865835 where: bonds (distance) C4'-P energy: -46.287 bonds (distance) P-C4' energy: -57.818 flat angles C4'-P-C4' energy: -57.727 flat angles P-C4'-P energy: -35.939 tors. eta vs tors. theta energy: -30.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -429.720521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.720521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.720521 (E_RNA) where: Base-Base interactions energy: -227.760 where: short stacking energy: -111.541 Base-Backbone interact. energy: 1.180 local terms energy: -203.140431 where: bonds (distance) C4'-P energy: -50.033 bonds (distance) P-C4' energy: -53.840 flat angles C4'-P-C4' energy: -54.777 flat angles P-C4'-P energy: -36.816 tors. eta vs tors. theta energy: -7.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -293.723636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.723636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.723636 (E_RNA) where: Base-Base interactions energy: -113.147 where: short stacking energy: -95.244 Base-Backbone interact. energy: -0.526 local terms energy: -180.050778 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -59.709 flat angles C4'-P-C4' energy: -49.903 flat angles P-C4'-P energy: -16.504 tors. eta vs tors. theta energy: 0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1152.083321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.083321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.083321 (E_RNA) where: Base-Base interactions energy: -784.960 where: short stacking energy: -388.229 Base-Backbone interact. energy: -0.144 local terms energy: -366.979213 where: bonds (distance) C4'-P energy: -60.805 bonds (distance) P-C4' energy: -60.200 flat angles C4'-P-C4' energy: -82.958 flat angles P-C4'-P energy: -49.448 tors. eta vs tors. theta energy: -113.568 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: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1150.424448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.424448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.424448 (E_RNA) where: Base-Base interactions energy: -778.477 where: short stacking energy: -361.759 Base-Backbone interact. energy: -1.549 local terms energy: -370.398447 where: bonds (distance) C4'-P energy: -68.614 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -81.404 flat angles P-C4'-P energy: -50.616 tors. eta vs tors. theta energy: -107.242 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: 162 Temperature: 1.000000 Total energy: -1015.828266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.828266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.828266 (E_RNA) where: Base-Base interactions energy: -670.784 where: short stacking energy: -329.067 Base-Backbone interact. energy: 4.867 local terms energy: -349.911451 where: bonds (distance) C4'-P energy: -66.838 bonds (distance) P-C4' energy: -69.896 flat angles C4'-P-C4' energy: -74.216 flat angles P-C4'-P energy: -47.539 tors. eta vs tors. theta energy: -91.423 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: 4, replica: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -946.419003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.419003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.419003 (E_RNA) where: Base-Base interactions energy: -618.913 where: short stacking energy: -289.756 Base-Backbone interact. energy: -1.655 local terms energy: -325.850976 where: bonds (distance) C4'-P energy: -63.195 bonds (distance) P-C4' energy: -65.876 flat angles C4'-P-C4' energy: -73.874 flat angles P-C4'-P energy: -50.985 tors. eta vs tors. theta energy: -71.919 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: 5, replica: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -926.458403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.458403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.458403 (E_RNA) where: Base-Base interactions energy: -611.831 where: short stacking energy: -276.992 Base-Backbone interact. energy: -1.039 local terms energy: -313.588328 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -62.732 flat angles C4'-P-C4' energy: -63.695 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -74.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -762.230582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.230582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.230582 (E_RNA) where: Base-Base interactions energy: -478.312 where: short stacking energy: -226.160 Base-Backbone interact. energy: -1.964 local terms energy: -281.955097 where: bonds (distance) C4'-P energy: -66.059 bonds (distance) P-C4' energy: -59.332 flat angles C4'-P-C4' energy: -69.840 flat angles P-C4'-P energy: -35.178 tors. eta vs tors. theta energy: -51.546 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: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -650.184988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.184988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.184988 (E_RNA) where: Base-Base interactions energy: -378.719 where: short stacking energy: -199.993 Base-Backbone interact. energy: -2.055 local terms energy: -269.410710 where: bonds (distance) C4'-P energy: -62.437 bonds (distance) P-C4' energy: -66.058 flat angles C4'-P-C4' energy: -64.965 flat angles P-C4'-P energy: -31.927 tors. eta vs tors. theta energy: -44.024 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: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -588.741294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.741294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.741294 (E_RNA) where: Base-Base interactions energy: -321.544 where: short stacking energy: -164.903 Base-Backbone interact. energy: -1.110 local terms energy: -266.086705 where: bonds (distance) C4'-P energy: -65.632 bonds (distance) P-C4' energy: -65.250 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -39.498 tors. eta vs tors. theta energy: -32.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -471.757526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.757526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.757526 (E_RNA) where: Base-Base interactions energy: -278.569 where: short stacking energy: -138.164 Base-Backbone interact. energy: -0.212 local terms energy: -192.976357 where: bonds (distance) C4'-P energy: -66.880 bonds (distance) P-C4' energy: -46.443 flat angles C4'-P-C4' energy: -43.952 flat angles P-C4'-P energy: -25.478 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: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -291.682223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.682223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.682223 (E_RNA) where: Base-Base interactions energy: -104.969 where: short stacking energy: -77.953 Base-Backbone interact. energy: -0.523 local terms energy: -186.190052 where: bonds (distance) C4'-P energy: -56.241 bonds (distance) P-C4' energy: -46.721 flat angles C4'-P-C4' energy: -51.994 flat angles P-C4'-P energy: -35.012 tors. eta vs tors. theta energy: 3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1166.967909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.967909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.967909 (E_RNA) where: Base-Base interactions energy: -786.638 where: short stacking energy: -376.740 Base-Backbone interact. energy: -0.840 local terms energy: -379.489853 where: bonds (distance) C4'-P energy: -60.013 bonds (distance) P-C4' energy: -78.654 flat angles C4'-P-C4' energy: -80.162 flat angles P-C4'-P energy: -54.025 tors. eta vs tors. theta energy: -106.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1142.149651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.149651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.149651 (E_RNA) where: Base-Base interactions energy: -780.635 where: short stacking energy: -361.916 Base-Backbone interact. energy: 0.018 local terms energy: -361.532255 where: bonds (distance) C4'-P energy: -66.114 bonds (distance) P-C4' energy: -61.498 flat angles C4'-P-C4' energy: -82.985 flat angles P-C4'-P energy: -49.174 tors. eta vs tors. theta energy: -101.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1016.298820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.298820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.298820 (E_RNA) where: Base-Base interactions energy: -676.191 where: short stacking energy: -315.695 Base-Backbone interact. energy: -0.967 local terms energy: -339.140903 where: bonds (distance) C4'-P energy: -60.372 bonds (distance) P-C4' energy: -59.021 flat angles C4'-P-C4' energy: -76.106 flat angles P-C4'-P energy: -55.092 tors. eta vs tors. theta energy: -88.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -934.275860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.275860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.275860 (E_RNA) where: Base-Base interactions energy: -608.490 where: short stacking energy: -287.517 Base-Backbone interact. energy: -0.700 local terms energy: -325.085851 where: bonds (distance) C4'-P energy: -66.648 bonds (distance) P-C4' energy: -69.055 flat angles C4'-P-C4' energy: -70.395 flat angles P-C4'-P energy: -48.302 tors. eta vs tors. theta energy: -70.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -922.157388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.157388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.157388 (E_RNA) where: Base-Base interactions energy: -614.129 where: short stacking energy: -298.352 Base-Backbone interact. energy: -1.621 local terms energy: -306.407946 where: bonds (distance) C4'-P energy: -56.121 bonds (distance) P-C4' energy: -56.101 flat angles C4'-P-C4' energy: -70.662 flat angles P-C4'-P energy: -44.675 tors. eta vs tors. theta energy: -78.849 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: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -797.084866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.084866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.084866 (E_RNA) where: Base-Base interactions energy: -518.754 where: short stacking energy: -254.374 Base-Backbone interact. energy: -1.305 local terms energy: -277.025535 where: bonds (distance) C4'-P energy: -50.628 bonds (distance) P-C4' energy: -61.140 flat angles C4'-P-C4' energy: -54.709 flat angles P-C4'-P energy: -47.605 tors. eta vs tors. theta energy: -62.943 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: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -625.009947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.009947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.009947 (E_RNA) where: Base-Base interactions energy: -373.577 where: short stacking energy: -158.461 Base-Backbone interact. energy: -1.922 local terms energy: -249.510402 where: bonds (distance) C4'-P energy: -56.052 bonds (distance) P-C4' energy: -64.468 flat angles C4'-P-C4' energy: -62.555 flat angles P-C4'-P energy: -41.561 tors. eta vs tors. theta energy: -24.875 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: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -594.498357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.498357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.498357 (E_RNA) where: Base-Base interactions energy: -351.029 where: short stacking energy: -168.361 Base-Backbone interact. energy: -1.367 local terms energy: -242.102052 where: bonds (distance) C4'-P energy: -56.575 bonds (distance) P-C4' energy: -59.509 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -34.909 tors. eta vs tors. theta energy: -31.406 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: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -415.411371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.411371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.411371 (E_RNA) where: Base-Base interactions energy: -220.120 where: short stacking energy: -115.501 Base-Backbone interact. energy: 2.980 local terms energy: -198.271321 where: bonds (distance) C4'-P energy: -57.631 bonds (distance) P-C4' energy: -65.077 flat angles C4'-P-C4' energy: -46.878 flat angles P-C4'-P energy: -22.875 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -294.962799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.962799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.962799 (E_RNA) where: Base-Base interactions energy: -107.287 where: short stacking energy: -96.323 Base-Backbone interact. energy: -0.626 local terms energy: -187.050354 where: bonds (distance) C4'-P energy: -47.941 bonds (distance) P-C4' energy: -49.466 flat angles C4'-P-C4' energy: -63.075 flat angles P-C4'-P energy: -18.143 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1164.102765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.102765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.102765 (E_RNA) where: Base-Base interactions energy: -783.009 where: short stacking energy: -368.116 Base-Backbone interact. energy: -0.986 local terms energy: -380.108044 where: bonds (distance) C4'-P energy: -65.228 bonds (distance) P-C4' energy: -70.521 flat angles C4'-P-C4' energy: -74.651 flat angles P-C4'-P energy: -58.541 tors. eta vs tors. theta energy: -111.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1112.861327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.861327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.861327 (E_RNA) where: Base-Base interactions energy: -746.738 where: short stacking energy: -340.077 Base-Backbone interact. energy: 0.439 local terms energy: -366.562559 where: bonds (distance) C4'-P energy: -78.196 bonds (distance) P-C4' energy: -72.147 flat angles C4'-P-C4' energy: -78.920 flat angles P-C4'-P energy: -39.859 tors. eta vs tors. theta energy: -97.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -995.720109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.720109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.720109 (E_RNA) where: Base-Base interactions energy: -647.863 where: short stacking energy: -315.367 Base-Backbone interact. energy: -1.974 local terms energy: -345.882335 where: bonds (distance) C4'-P energy: -69.684 bonds (distance) P-C4' energy: -71.339 flat angles C4'-P-C4' energy: -74.170 flat angles P-C4'-P energy: -47.915 tors. eta vs tors. theta energy: -82.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -926.731166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.731166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.731166 (E_RNA) where: Base-Base interactions energy: -605.483 where: short stacking energy: -275.461 Base-Backbone interact. energy: -1.569 local terms energy: -319.678905 where: bonds (distance) C4'-P energy: -56.838 bonds (distance) P-C4' energy: -69.784 flat angles C4'-P-C4' energy: -72.231 flat angles P-C4'-P energy: -50.012 tors. eta vs tors. theta energy: -70.813 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: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -915.459299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.459299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.459299 (E_RNA) where: Base-Base interactions energy: -612.614 where: short stacking energy: -299.997 Base-Backbone interact. energy: -0.543 local terms energy: -302.302035 where: bonds (distance) C4'-P energy: -48.974 bonds (distance) P-C4' energy: -62.610 flat angles C4'-P-C4' energy: -64.408 flat angles P-C4'-P energy: -48.734 tors. eta vs tors. theta energy: -77.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -795.668390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.668390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.668390 (E_RNA) where: Base-Base interactions energy: -498.093 where: short stacking energy: -262.172 Base-Backbone interact. energy: -2.273 local terms energy: -295.302576 where: bonds (distance) C4'-P energy: -49.456 bonds (distance) P-C4' energy: -57.540 flat angles C4'-P-C4' energy: -71.863 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: -69.682 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: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -695.980424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.980424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.980424 (E_RNA) where: Base-Base interactions energy: -442.688 where: short stacking energy: -211.574 Base-Backbone interact. energy: 0.712 local terms energy: -254.004425 where: bonds (distance) C4'-P energy: -62.412 bonds (distance) P-C4' energy: -53.039 flat angles C4'-P-C4' energy: -64.023 flat angles P-C4'-P energy: -38.974 tors. eta vs tors. theta energy: -35.556 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: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -655.819367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.819367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.819367 (E_RNA) where: Base-Base interactions energy: -396.917 where: short stacking energy: -202.353 Base-Backbone interact. energy: -1.860 local terms energy: -257.041816 where: bonds (distance) C4'-P energy: -57.833 bonds (distance) P-C4' energy: -46.496 flat angles C4'-P-C4' energy: -66.087 flat angles P-C4'-P energy: -34.450 tors. eta vs tors. theta energy: -52.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -456.406217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.406217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.406217 (E_RNA) where: Base-Base interactions energy: -233.475 where: short stacking energy: -128.654 Base-Backbone interact. energy: -1.410 local terms energy: -221.521134 where: bonds (distance) C4'-P energy: -55.803 bonds (distance) P-C4' energy: -53.306 flat angles C4'-P-C4' energy: -68.828 flat angles P-C4'-P energy: -31.731 tors. eta vs tors. theta energy: -11.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -282.858961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.858961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.858961 (E_RNA) where: Base-Base interactions energy: -96.676 where: short stacking energy: -78.362 Base-Backbone interact. energy: 0.318 local terms energy: -186.500770 where: bonds (distance) C4'-P energy: -49.034 bonds (distance) P-C4' energy: -58.783 flat angles C4'-P-C4' energy: -54.266 flat angles P-C4'-P energy: -36.908 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: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1163.545668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.545668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.545668 (E_RNA) where: Base-Base interactions energy: -778.059 where: short stacking energy: -372.725 Base-Backbone interact. energy: -0.147 local terms energy: -385.339114 where: bonds (distance) C4'-P energy: -71.637 bonds (distance) P-C4' energy: -68.289 flat angles C4'-P-C4' energy: -79.460 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -112.542 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: 165 Temperature: 0.950000 Total energy: -1144.602839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.602839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.602839 (E_RNA) where: Base-Base interactions energy: -789.675 where: short stacking energy: -365.747 Base-Backbone interact. energy: -0.780 local terms energy: -354.147891 where: bonds (distance) C4'-P energy: -56.604 bonds (distance) P-C4' energy: -75.438 flat angles C4'-P-C4' energy: -72.331 flat angles P-C4'-P energy: -47.256 tors. eta vs tors. theta energy: -102.520 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: 165 Temperature: 1.000000 Total energy: -1026.539320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.539320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.539320 (E_RNA) where: Base-Base interactions energy: -680.872 where: short stacking energy: -321.172 Base-Backbone interact. energy: 0.639 local terms energy: -346.306677 where: bonds (distance) C4'-P energy: -64.764 bonds (distance) P-C4' energy: -65.565 flat angles C4'-P-C4' energy: -78.096 flat angles P-C4'-P energy: -47.936 tors. eta vs tors. theta energy: -89.945 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: 165 Temperature: 1.050000 Total energy: -957.932112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.932112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.932112 (E_RNA) where: Base-Base interactions energy: -638.880 where: short stacking energy: -314.138 Base-Backbone interact. energy: -0.596 local terms energy: -318.455668 where: bonds (distance) C4'-P energy: -67.058 bonds (distance) P-C4' energy: -60.841 flat angles C4'-P-C4' energy: -70.404 flat angles P-C4'-P energy: -35.715 tors. eta vs tors. theta energy: -84.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -921.782771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.782771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.782771 (E_RNA) where: Base-Base interactions energy: -605.069 where: short stacking energy: -281.247 Base-Backbone interact. energy: -0.878 local terms energy: -315.835890 where: bonds (distance) C4'-P energy: -63.627 bonds (distance) P-C4' energy: -66.322 flat angles C4'-P-C4' energy: -71.707 flat angles P-C4'-P energy: -41.637 tors. eta vs tors. theta energy: -72.544 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: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -823.236838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.236838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.236838 (E_RNA) where: Base-Base interactions energy: -509.932 where: short stacking energy: -264.222 Base-Backbone interact. energy: -0.821 local terms energy: -312.483540 where: bonds (distance) C4'-P energy: -57.152 bonds (distance) P-C4' energy: -64.153 flat angles C4'-P-C4' energy: -68.643 flat angles P-C4'-P energy: -45.416 tors. eta vs tors. theta energy: -77.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -690.478102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.478102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.478102 (E_RNA) where: Base-Base interactions energy: -436.362 where: short stacking energy: -209.175 Base-Backbone interact. energy: -1.880 local terms energy: -252.235789 where: bonds (distance) C4'-P energy: -63.911 bonds (distance) P-C4' energy: -52.826 flat angles C4'-P-C4' energy: -47.401 flat angles P-C4'-P energy: -41.412 tors. eta vs tors. theta energy: -46.686 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: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -663.614181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.614181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.614181 (E_RNA) where: Base-Base interactions energy: -396.084 where: short stacking energy: -208.727 Base-Backbone interact. energy: 0.482 local terms energy: -268.011913 where: bonds (distance) C4'-P energy: -57.851 bonds (distance) P-C4' energy: -57.123 flat angles C4'-P-C4' energy: -63.976 flat angles P-C4'-P energy: -37.823 tors. eta vs tors. theta energy: -51.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -428.882009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.882009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.882009 (E_RNA) where: Base-Base interactions energy: -230.013 where: short stacking energy: -99.282 Base-Backbone interact. energy: 0.149 local terms energy: -199.018226 where: bonds (distance) C4'-P energy: -62.000 bonds (distance) P-C4' energy: -64.616 flat angles C4'-P-C4' energy: -63.577 flat angles P-C4'-P energy: -23.330 tors. eta vs tors. theta energy: 14.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -294.272426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.272426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.272426 (E_RNA) where: Base-Base interactions energy: -88.403 where: short stacking energy: -74.460 Base-Backbone interact. energy: 3.818 local terms energy: -209.687792 where: bonds (distance) C4'-P energy: -54.714 bonds (distance) P-C4' energy: -69.290 flat angles C4'-P-C4' energy: -55.358 flat angles P-C4'-P energy: -38.536 tors. eta vs tors. theta energy: 8.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1155.447827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.447827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.447827 (E_RNA) where: Base-Base interactions energy: -792.522 where: short stacking energy: -344.022 Base-Backbone interact. energy: -0.804 local terms energy: -362.122393 where: bonds (distance) C4'-P energy: -73.648 bonds (distance) P-C4' energy: -65.302 flat angles C4'-P-C4' energy: -70.838 flat angles P-C4'-P energy: -51.819 tors. eta vs tors. theta energy: -100.515 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: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1124.466426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.466426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.466426 (E_RNA) where: Base-Base interactions energy: -760.091 where: short stacking energy: -347.768 Base-Backbone interact. energy: 0.497 local terms energy: -364.872117 where: bonds (distance) C4'-P energy: -65.354 bonds (distance) P-C4' energy: -64.321 flat angles C4'-P-C4' energy: -81.804 flat angles P-C4'-P energy: -54.660 tors. eta vs tors. theta energy: -98.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1018.215484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.215484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.215484 (E_RNA) where: Base-Base interactions energy: -680.060 where: short stacking energy: -319.372 Base-Backbone interact. energy: -2.279 local terms energy: -335.876166 where: bonds (distance) C4'-P energy: -64.644 bonds (distance) P-C4' energy: -65.793 flat angles C4'-P-C4' energy: -68.677 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -85.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -916.956039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.956039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.956039 (E_RNA) where: Base-Base interactions energy: -602.534 where: short stacking energy: -279.363 Base-Backbone interact. energy: -1.960 local terms energy: -312.462430 where: bonds (distance) C4'-P energy: -54.191 bonds (distance) P-C4' energy: -62.529 flat angles C4'-P-C4' energy: -69.872 flat angles P-C4'-P energy: -50.270 tors. eta vs tors. theta energy: -75.601 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: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -921.578195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.578195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.578195 (E_RNA) where: Base-Base interactions energy: -615.021 where: short stacking energy: -279.373 Base-Backbone interact. energy: 1.244 local terms energy: -307.800955 where: bonds (distance) C4'-P energy: -54.966 bonds (distance) P-C4' energy: -63.414 flat angles C4'-P-C4' energy: -73.134 flat angles P-C4'-P energy: -48.257 tors. eta vs tors. theta energy: -68.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -813.235300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.235300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.235300 (E_RNA) where: Base-Base interactions energy: -496.199 where: short stacking energy: -237.941 Base-Backbone interact. energy: -1.410 local terms energy: -315.626281 where: bonds (distance) C4'-P energy: -61.503 bonds (distance) P-C4' energy: -69.908 flat angles C4'-P-C4' energy: -67.702 flat angles P-C4'-P energy: -53.249 tors. eta vs tors. theta energy: -63.264 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: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -727.148775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.148775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.148775 (E_RNA) where: Base-Base interactions energy: -455.201 where: short stacking energy: -229.401 Base-Backbone interact. energy: 3.631 local terms energy: -275.578625 where: bonds (distance) C4'-P energy: -58.083 bonds (distance) P-C4' energy: -66.649 flat angles C4'-P-C4' energy: -66.461 flat angles P-C4'-P energy: -43.359 tors. eta vs tors. theta energy: -41.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -624.324531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.324531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.324531 (E_RNA) where: Base-Base interactions energy: -373.325 where: short stacking energy: -180.861 Base-Backbone interact. energy: -1.599 local terms energy: -249.400076 where: bonds (distance) C4'-P energy: -50.371 bonds (distance) P-C4' energy: -64.365 flat angles C4'-P-C4' energy: -63.346 flat angles P-C4'-P energy: -38.069 tors. eta vs tors. theta energy: -33.249 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: 9, replica: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -407.622625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.622625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.622625 (E_RNA) where: Base-Base interactions energy: -190.399 where: short stacking energy: -105.521 Base-Backbone interact. energy: -0.073 local terms energy: -217.150908 where: bonds (distance) C4'-P energy: -67.636 bonds (distance) P-C4' energy: -56.448 flat angles C4'-P-C4' energy: -54.401 flat angles P-C4'-P energy: -47.023 tors. eta vs tors. theta energy: 8.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -373.032330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.032330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.032330 (E_RNA) where: Base-Base interactions energy: -182.372 where: short stacking energy: -131.171 Base-Backbone interact. energy: 0.317 local terms energy: -190.977684 where: bonds (distance) C4'-P energy: -47.702 bonds (distance) P-C4' energy: -55.372 flat angles C4'-P-C4' energy: -56.429 flat angles P-C4'-P energy: -23.669 tors. eta vs tors. theta energy: -7.806 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: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1156.124816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.124816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.124816 (E_RNA) where: Base-Base interactions energy: -787.310 where: short stacking energy: -351.321 Base-Backbone interact. energy: -0.815 local terms energy: -368.000169 where: bonds (distance) C4'-P energy: -62.456 bonds (distance) P-C4' energy: -72.205 flat angles C4'-P-C4' energy: -84.679 flat angles P-C4'-P energy: -46.953 tors. eta vs tors. theta energy: -101.707 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: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1118.933046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.933046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.933046 (E_RNA) where: Base-Base interactions energy: -751.961 where: short stacking energy: -348.709 Base-Backbone interact. energy: 0.195 local terms energy: -367.166806 where: bonds (distance) C4'-P energy: -69.668 bonds (distance) P-C4' energy: -71.332 flat angles C4'-P-C4' energy: -79.299 flat angles P-C4'-P energy: -51.568 tors. eta vs tors. theta energy: -95.300 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: 3, replica: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1003.881518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.881518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.881518 (E_RNA) where: Base-Base interactions energy: -636.999 where: short stacking energy: -325.623 Base-Backbone interact. energy: -1.340 local terms energy: -365.542453 where: bonds (distance) C4'-P energy: -70.046 bonds (distance) P-C4' energy: -69.386 flat angles C4'-P-C4' energy: -79.480 flat angles P-C4'-P energy: -47.949 tors. eta vs tors. theta energy: -98.681 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: 167 Temperature: 1.050000 Total energy: -936.545450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.545450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.545450 (E_RNA) where: Base-Base interactions energy: -598.363 where: short stacking energy: -283.588 Base-Backbone interact. energy: -1.250 local terms energy: -336.932492 where: bonds (distance) C4'-P energy: -57.980 bonds (distance) P-C4' energy: -69.251 flat angles C4'-P-C4' energy: -80.410 flat angles P-C4'-P energy: -49.669 tors. eta vs tors. theta energy: -79.623 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: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -863.129243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.129243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.129243 (E_RNA) where: Base-Base interactions energy: -579.552 where: short stacking energy: -259.091 Base-Backbone interact. energy: 2.032 local terms energy: -285.609443 where: bonds (distance) C4'-P energy: -65.574 bonds (distance) P-C4' energy: -54.978 flat angles C4'-P-C4' energy: -59.142 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -60.334 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: 167 Temperature: 1.150000 Total energy: -792.328397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.328397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.328397 (E_RNA) where: Base-Base interactions energy: -502.280 where: short stacking energy: -248.504 Base-Backbone interact. energy: 1.281 local terms energy: -291.329785 where: bonds (distance) C4'-P energy: -48.710 bonds (distance) P-C4' energy: -68.706 flat angles C4'-P-C4' energy: -69.755 flat angles P-C4'-P energy: -46.445 tors. eta vs tors. theta energy: -57.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -773.862930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.862930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.862930 (E_RNA) where: Base-Base interactions energy: -484.194 where: short stacking energy: -240.075 Base-Backbone interact. energy: 4.117 local terms energy: -293.785167 where: bonds (distance) C4'-P energy: -61.352 bonds (distance) P-C4' energy: -52.103 flat angles C4'-P-C4' energy: -69.856 flat angles P-C4'-P energy: -46.071 tors. eta vs tors. theta energy: -64.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -622.106349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.106349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.106349 (E_RNA) where: Base-Base interactions energy: -363.844 where: short stacking energy: -180.140 Base-Backbone interact. energy: 2.321 local terms energy: -260.582686 where: bonds (distance) C4'-P energy: -65.644 bonds (distance) P-C4' energy: -62.053 flat angles C4'-P-C4' energy: -73.727 flat angles P-C4'-P energy: -33.078 tors. eta vs tors. theta energy: -26.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -403.969394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.969394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.969394 (E_RNA) where: Base-Base interactions energy: -191.159 where: short stacking energy: -108.858 Base-Backbone interact. energy: -3.139 local terms energy: -209.671300 where: bonds (distance) C4'-P energy: -59.659 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -52.546 flat angles P-C4'-P energy: -31.597 tors. eta vs tors. theta energy: -5.240 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: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -303.299814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.299814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.299814 (E_RNA) where: Base-Base interactions energy: -110.452 where: short stacking energy: -93.904 Base-Backbone interact. energy: -1.965 local terms energy: -190.883072 where: bonds (distance) C4'-P energy: -52.885 bonds (distance) P-C4' energy: -55.890 flat angles C4'-P-C4' energy: -56.691 flat angles P-C4'-P energy: -30.570 tors. eta vs tors. theta energy: 5.152 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: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1175.487326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.487326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.487326 (E_RNA) where: Base-Base interactions energy: -809.103 where: short stacking energy: -357.640 Base-Backbone interact. energy: 0.511 local terms energy: -366.895240 where: bonds (distance) C4'-P energy: -77.717 bonds (distance) P-C4' energy: -67.273 flat angles C4'-P-C4' energy: -75.287 flat angles P-C4'-P energy: -48.191 tors. eta vs tors. theta energy: -98.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1151.588233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.588233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.588233 (E_RNA) where: Base-Base interactions energy: -773.157 where: short stacking energy: -364.381 Base-Backbone interact. energy: -0.919 local terms energy: -377.511555 where: bonds (distance) C4'-P energy: -70.113 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -74.995 flat angles P-C4'-P energy: -56.817 tors. eta vs tors. theta energy: -102.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1016.348039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.348039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.348039 (E_RNA) where: Base-Base interactions energy: -646.475 where: short stacking energy: -316.756 Base-Backbone interact. energy: -0.343 local terms energy: -369.530143 where: bonds (distance) C4'-P energy: -62.587 bonds (distance) P-C4' energy: -76.632 flat angles C4'-P-C4' energy: -74.489 flat angles P-C4'-P energy: -56.891 tors. eta vs tors. theta energy: -98.930 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: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1014.539538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.539538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.539538 (E_RNA) where: Base-Base interactions energy: -671.616 where: short stacking energy: -326.838 Base-Backbone interact. energy: -0.721 local terms energy: -342.203026 where: bonds (distance) C4'-P energy: -58.698 bonds (distance) P-C4' energy: -61.394 flat angles C4'-P-C4' energy: -78.424 flat angles P-C4'-P energy: -49.123 tors. eta vs tors. theta energy: -94.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -870.855564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.855564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.855564 (E_RNA) where: Base-Base interactions energy: -571.057 where: short stacking energy: -281.756 Base-Backbone interact. energy: 0.703 local terms energy: -300.501615 where: bonds (distance) C4'-P energy: -57.943 bonds (distance) P-C4' energy: -67.574 flat angles C4'-P-C4' energy: -64.442 flat angles P-C4'-P energy: -42.158 tors. eta vs tors. theta energy: -68.385 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: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -774.940982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.940982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.940982 (E_RNA) where: Base-Base interactions energy: -472.522 where: short stacking energy: -232.005 Base-Backbone interact. energy: -0.728 local terms energy: -301.690375 where: bonds (distance) C4'-P energy: -61.239 bonds (distance) P-C4' energy: -67.109 flat angles C4'-P-C4' energy: -67.319 flat angles P-C4'-P energy: -38.029 tors. eta vs tors. theta energy: -67.994 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: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -744.992035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.992035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.992035 (E_RNA) where: Base-Base interactions energy: -497.102 where: short stacking energy: -220.530 Base-Backbone interact. energy: -0.748 local terms energy: -247.141838 where: bonds (distance) C4'-P energy: -58.263 bonds (distance) P-C4' energy: -55.602 flat angles C4'-P-C4' energy: -55.398 flat angles P-C4'-P energy: -33.656 tors. eta vs tors. theta energy: -44.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -588.043605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.043605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.043605 (E_RNA) where: Base-Base interactions energy: -351.492 where: short stacking energy: -159.697 Base-Backbone interact. energy: -1.798 local terms energy: -234.753126 where: bonds (distance) C4'-P energy: -50.462 bonds (distance) P-C4' energy: -64.247 flat angles C4'-P-C4' energy: -57.033 flat angles P-C4'-P energy: -36.269 tors. eta vs tors. theta energy: -26.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -413.057264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.057264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.057264 (E_RNA) where: Base-Base interactions energy: -231.626 where: short stacking energy: -143.909 Base-Backbone interact. energy: 0.092 local terms energy: -181.523612 where: bonds (distance) C4'-P energy: -47.627 bonds (distance) P-C4' energy: -51.003 flat angles C4'-P-C4' energy: -56.770 flat angles P-C4'-P energy: -18.972 tors. eta vs tors. theta energy: -7.151 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: 168 Temperature: 1.350000 Total energy: -287.258109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.258109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.258109 (E_RNA) where: Base-Base interactions energy: -104.271 where: short stacking energy: -96.261 Base-Backbone interact. energy: 0.106 local terms energy: -183.093581 where: bonds (distance) C4'-P energy: -46.330 bonds (distance) P-C4' energy: -56.003 flat angles C4'-P-C4' energy: -55.134 flat angles P-C4'-P energy: -27.545 tors. eta vs tors. theta energy: 1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1160.682492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.682492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.682492 (E_RNA) where: Base-Base interactions energy: -790.105 where: short stacking energy: -349.591 Base-Backbone interact. energy: -1.932 local terms energy: -368.645584 where: bonds (distance) C4'-P energy: -74.814 bonds (distance) P-C4' energy: -67.786 flat angles C4'-P-C4' energy: -71.593 flat angles P-C4'-P energy: -57.957 tors. eta vs tors. theta energy: -96.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1123.972395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.972395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.972395 (E_RNA) where: Base-Base interactions energy: -764.286 where: short stacking energy: -359.553 Base-Backbone interact. energy: -1.063 local terms energy: -358.622597 where: bonds (distance) C4'-P energy: -61.239 bonds (distance) P-C4' energy: -66.773 flat angles C4'-P-C4' energy: -75.488 flat angles P-C4'-P energy: -50.359 tors. eta vs tors. theta energy: -104.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1014.918227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.918227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.918227 (E_RNA) where: Base-Base interactions energy: -638.819 where: short stacking energy: -305.189 Base-Backbone interact. energy: -1.194 local terms energy: -374.905008 where: bonds (distance) C4'-P energy: -76.046 bonds (distance) P-C4' energy: -75.877 flat angles C4'-P-C4' energy: -75.651 flat angles P-C4'-P energy: -48.695 tors. eta vs tors. theta energy: -98.635 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: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -986.646854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.646854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.646854 (E_RNA) where: Base-Base interactions energy: -647.379 where: short stacking energy: -302.491 Base-Backbone interact. energy: -0.551 local terms energy: -338.716606 where: bonds (distance) C4'-P energy: -71.118 bonds (distance) P-C4' energy: -65.356 flat angles C4'-P-C4' energy: -70.108 flat angles P-C4'-P energy: -53.510 tors. eta vs tors. theta energy: -78.624 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: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -936.364686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.364686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.364686 (E_RNA) where: Base-Base interactions energy: -605.112 where: short stacking energy: -303.787 Base-Backbone interact. energy: -0.961 local terms energy: -330.291298 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -52.103 flat angles C4'-P-C4' energy: -75.676 flat angles P-C4'-P energy: -50.587 tors. eta vs tors. theta energy: -87.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -799.732625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.732625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.732625 (E_RNA) where: Base-Base interactions energy: -522.641 where: short stacking energy: -235.911 Base-Backbone interact. energy: -1.126 local terms energy: -275.964805 where: bonds (distance) C4'-P energy: -45.045 bonds (distance) P-C4' energy: -62.954 flat angles C4'-P-C4' energy: -55.762 flat angles P-C4'-P energy: -45.118 tors. eta vs tors. theta energy: -67.086 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: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -759.990856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.990856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.990856 (E_RNA) where: Base-Base interactions energy: -479.574 where: short stacking energy: -234.670 Base-Backbone interact. energy: -1.266 local terms energy: -279.150741 where: bonds (distance) C4'-P energy: -56.700 bonds (distance) P-C4' energy: -51.474 flat angles C4'-P-C4' energy: -65.701 flat angles P-C4'-P energy: -50.144 tors. eta vs tors. theta energy: -55.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -556.787158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.787158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.787158 (E_RNA) where: Base-Base interactions energy: -325.551 where: short stacking energy: -191.022 Base-Backbone interact. energy: 0.477 local terms energy: -231.713098 where: bonds (distance) C4'-P energy: -62.416 bonds (distance) P-C4' energy: -48.836 flat angles C4'-P-C4' energy: -50.186 flat angles P-C4'-P energy: -37.806 tors. eta vs tors. theta energy: -32.469 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: 169 Temperature: 1.300000 Total energy: -395.479128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.479128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.479128 (E_RNA) where: Base-Base interactions energy: -219.031 where: short stacking energy: -118.361 Base-Backbone interact. energy: 0.729 local terms energy: -177.176718 where: bonds (distance) C4'-P energy: -50.546 bonds (distance) P-C4' energy: -70.014 flat angles C4'-P-C4' energy: -48.622 flat angles P-C4'-P energy: -13.456 tors. eta vs tors. theta energy: 5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -283.855620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.855620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.855620 (E_RNA) where: Base-Base interactions energy: -111.710 where: short stacking energy: -77.938 Base-Backbone interact. energy: 2.310 local terms energy: -174.456054 where: bonds (distance) C4'-P energy: -47.851 bonds (distance) P-C4' energy: -57.219 flat angles C4'-P-C4' energy: -45.184 flat angles P-C4'-P energy: -32.869 tors. eta vs tors. theta energy: 8.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1187.074346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.074346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.074346 (E_RNA) where: Base-Base interactions energy: -804.993 where: short stacking energy: -366.985 Base-Backbone interact. energy: -1.377 local terms energy: -380.704654 where: bonds (distance) C4'-P energy: -69.941 bonds (distance) P-C4' energy: -71.592 flat angles C4'-P-C4' energy: -81.318 flat angles P-C4'-P energy: -58.093 tors. eta vs tors. theta energy: -99.760 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: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1126.156263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.156263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.156263 (E_RNA) where: Base-Base interactions energy: -753.938 where: short stacking energy: -340.390 Base-Backbone interact. energy: -0.884 local terms energy: -371.334239 where: bonds (distance) C4'-P energy: -72.699 bonds (distance) P-C4' energy: -74.303 flat angles C4'-P-C4' energy: -78.169 flat angles P-C4'-P energy: -55.271 tors. eta vs tors. theta energy: -90.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1014.176089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.176089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.176089 (E_RNA) where: Base-Base interactions energy: -675.707 where: short stacking energy: -331.845 Base-Backbone interact. energy: -0.284 local terms energy: -338.184361 where: bonds (distance) C4'-P energy: -54.481 bonds (distance) P-C4' energy: -70.892 flat angles C4'-P-C4' energy: -75.669 flat angles P-C4'-P energy: -40.995 tors. eta vs tors. theta energy: -96.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -994.584565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.584565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.584565 (E_RNA) where: Base-Base interactions energy: -666.787 where: short stacking energy: -308.595 Base-Backbone interact. energy: -1.351 local terms energy: -326.446386 where: bonds (distance) C4'-P energy: -66.354 bonds (distance) P-C4' energy: -58.444 flat angles C4'-P-C4' energy: -74.344 flat angles P-C4'-P energy: -44.554 tors. eta vs tors. theta energy: -82.750 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: 170 Temperature: 1.100000 Total energy: -927.822197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.822197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.822197 (E_RNA) where: Base-Base interactions energy: -604.965 where: short stacking energy: -295.281 Base-Backbone interact. energy: 0.693 local terms energy: -323.549573 where: bonds (distance) C4'-P energy: -71.951 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -69.478 flat angles P-C4'-P energy: -49.523 tors. eta vs tors. theta energy: -75.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -851.343134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.343134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.343134 (E_RNA) where: Base-Base interactions energy: -543.831 where: short stacking energy: -261.921 Base-Backbone interact. energy: -1.575 local terms energy: -305.937828 where: bonds (distance) C4'-P energy: -70.982 bonds (distance) P-C4' energy: -71.723 flat angles C4'-P-C4' energy: -58.842 flat angles P-C4'-P energy: -35.191 tors. eta vs tors. theta energy: -69.200 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: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -756.043192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.043192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.043192 (E_RNA) where: Base-Base interactions energy: -482.262 where: short stacking energy: -220.770 Base-Backbone interact. energy: -0.919 local terms energy: -272.862329 where: bonds (distance) C4'-P energy: -53.845 bonds (distance) P-C4' energy: -63.653 flat angles C4'-P-C4' energy: -55.987 flat angles P-C4'-P energy: -46.608 tors. eta vs tors. theta energy: -52.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -555.429772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.429772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.429772 (E_RNA) where: Base-Base interactions energy: -304.436 where: short stacking energy: -173.389 Base-Backbone interact. energy: -2.108 local terms energy: -248.886519 where: bonds (distance) C4'-P energy: -45.201 bonds (distance) P-C4' energy: -59.646 flat angles C4'-P-C4' energy: -74.019 flat angles P-C4'-P energy: -45.435 tors. eta vs tors. theta energy: -24.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -339.668813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.668813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.668813 (E_RNA) where: Base-Base interactions energy: -148.936 where: short stacking energy: -92.953 Base-Backbone interact. energy: 0.306 local terms energy: -191.038706 where: bonds (distance) C4'-P energy: -57.423 bonds (distance) P-C4' energy: -56.217 flat angles C4'-P-C4' energy: -44.484 flat angles P-C4'-P energy: -35.744 tors. eta vs tors. theta energy: 2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -290.992332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.992332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.992332 (E_RNA) where: Base-Base interactions energy: -125.542 where: short stacking energy: -95.433 Base-Backbone interact. energy: 4.095 local terms energy: -169.544653 where: bonds (distance) C4'-P energy: -54.338 bonds (distance) P-C4' energy: -55.023 flat angles C4'-P-C4' energy: -37.557 flat angles P-C4'-P energy: -34.757 tors. eta vs tors. theta energy: 12.130 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: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1183.616903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.616903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.616903 (E_RNA) where: Base-Base interactions energy: -794.444 where: short stacking energy: -366.169 Base-Backbone interact. energy: -0.435 local terms energy: -388.737598 where: bonds (distance) C4'-P energy: -71.731 bonds (distance) P-C4' energy: -74.654 flat angles C4'-P-C4' energy: -79.414 flat angles P-C4'-P energy: -57.967 tors. eta vs tors. theta energy: -104.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1139.337167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.337167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.337167 (E_RNA) where: Base-Base interactions energy: -772.624 where: short stacking energy: -371.014 Base-Backbone interact. energy: -0.923 local terms energy: -365.790449 where: bonds (distance) C4'-P energy: -58.594 bonds (distance) P-C4' energy: -66.944 flat angles C4'-P-C4' energy: -80.293 flat angles P-C4'-P energy: -49.259 tors. eta vs tors. theta energy: -110.701 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: 3, replica: 2 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -995.317765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.317765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.317765 (E_RNA) where: Base-Base interactions energy: -656.802 where: short stacking energy: -311.256 Base-Backbone interact. energy: 0.938 local terms energy: -339.453722 where: bonds (distance) C4'-P energy: -63.881 bonds (distance) P-C4' energy: -68.595 flat angles C4'-P-C4' energy: -77.902 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: -83.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1001.196780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.196780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.196780 (E_RNA) where: Base-Base interactions energy: -654.234 where: short stacking energy: -301.450 Base-Backbone interact. energy: -1.079 local terms energy: -345.883489 where: bonds (distance) C4'-P energy: -60.843 bonds (distance) P-C4' energy: -68.443 flat angles C4'-P-C4' energy: -78.600 flat angles P-C4'-P energy: -46.535 tors. eta vs tors. theta energy: -91.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -907.188020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.188020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.188020 (E_RNA) where: Base-Base interactions energy: -606.961 where: short stacking energy: -281.135 Base-Backbone interact. energy: -0.466 local terms energy: -299.760700 where: bonds (distance) C4'-P energy: -58.278 bonds (distance) P-C4' energy: -54.120 flat angles C4'-P-C4' energy: -64.261 flat angles P-C4'-P energy: -49.126 tors. eta vs tors. theta energy: -73.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -828.360240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.360240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.360240 (E_RNA) where: Base-Base interactions energy: -537.219 where: short stacking energy: -259.668 Base-Backbone interact. energy: 0.093 local terms energy: -291.234436 where: bonds (distance) C4'-P energy: -60.009 bonds (distance) P-C4' energy: -59.239 flat angles C4'-P-C4' energy: -64.512 flat angles P-C4'-P energy: -45.700 tors. eta vs tors. theta energy: -61.774 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: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -731.486563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.486563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.486563 (E_RNA) where: Base-Base interactions energy: -473.241 where: short stacking energy: -235.452 Base-Backbone interact. energy: -0.805 local terms energy: -257.441038 where: bonds (distance) C4'-P energy: -49.569 bonds (distance) P-C4' energy: -59.607 flat angles C4'-P-C4' energy: -71.439 flat angles P-C4'-P energy: -23.580 tors. eta vs tors. theta energy: -53.247 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: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -502.060651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.060651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.060651 (E_RNA) where: Base-Base interactions energy: -286.527 where: short stacking energy: -152.229 Base-Backbone interact. energy: -0.080 local terms energy: -215.453484 where: bonds (distance) C4'-P energy: -66.494 bonds (distance) P-C4' energy: -55.106 flat angles C4'-P-C4' energy: -47.897 flat angles P-C4'-P energy: -34.485 tors. eta vs tors. theta energy: -11.471 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: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -327.656876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.656876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.656876 (E_RNA) where: Base-Base interactions energy: -144.348 where: short stacking energy: -108.620 Base-Backbone interact. energy: 1.693 local terms energy: -185.002207 where: bonds (distance) C4'-P energy: -48.336 bonds (distance) P-C4' energy: -58.709 flat angles C4'-P-C4' energy: -51.559 flat angles P-C4'-P energy: -29.628 tors. eta vs tors. theta energy: 3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -277.066000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.066000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.066000 (E_RNA) where: Base-Base interactions energy: -108.968 where: short stacking energy: -82.261 Base-Backbone interact. energy: 0.869 local terms energy: -168.966515 where: bonds (distance) C4'-P energy: -58.365 bonds (distance) P-C4' energy: -56.524 flat angles C4'-P-C4' energy: -48.845 flat angles P-C4'-P energy: -21.348 tors. eta vs tors. theta energy: 16.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1184.857766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.857766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.857766 (E_RNA) where: Base-Base interactions energy: -806.349 where: short stacking energy: -376.361 Base-Backbone interact. energy: -0.096 local terms energy: -378.412911 where: bonds (distance) C4'-P energy: -64.587 bonds (distance) P-C4' energy: -76.022 flat angles C4'-P-C4' energy: -75.880 flat angles P-C4'-P energy: -55.935 tors. eta vs tors. theta energy: -105.989 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: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1115.397130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.397130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.397130 (E_RNA) where: Base-Base interactions energy: -754.683 where: short stacking energy: -367.530 Base-Backbone interact. energy: -0.244 local terms energy: -360.470685 where: bonds (distance) C4'-P energy: -67.240 bonds (distance) P-C4' energy: -61.022 flat angles C4'-P-C4' energy: -75.904 flat angles P-C4'-P energy: -56.280 tors. eta vs tors. theta energy: -100.025 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: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1002.726250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.726250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.726250 (E_RNA) where: Base-Base interactions energy: -681.307 where: short stacking energy: -322.813 Base-Backbone interact. energy: -0.397 local terms energy: -321.021652 where: bonds (distance) C4'-P energy: -63.867 bonds (distance) P-C4' energy: -55.607 flat angles C4'-P-C4' energy: -71.912 flat angles P-C4'-P energy: -36.593 tors. eta vs tors. theta energy: -93.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -989.484091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.484091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.484091 (E_RNA) where: Base-Base interactions energy: -660.374 where: short stacking energy: -307.426 Base-Backbone interact. energy: -0.749 local terms energy: -328.361564 where: bonds (distance) C4'-P energy: -57.916 bonds (distance) P-C4' energy: -61.634 flat angles C4'-P-C4' energy: -75.011 flat angles P-C4'-P energy: -51.777 tors. eta vs tors. theta energy: -82.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -960.405548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.405548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.405548 (E_RNA) where: Base-Base interactions energy: -637.999 where: short stacking energy: -301.416 Base-Backbone interact. energy: -1.865 local terms energy: -320.541642 where: bonds (distance) C4'-P energy: -75.544 bonds (distance) P-C4' energy: -65.015 flat angles C4'-P-C4' energy: -63.864 flat angles P-C4'-P energy: -33.245 tors. eta vs tors. theta energy: -82.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -807.331737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.331737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.331737 (E_RNA) where: Base-Base interactions energy: -532.094 where: short stacking energy: -244.871 Base-Backbone interact. energy: -1.191 local terms energy: -274.047247 where: bonds (distance) C4'-P energy: -55.422 bonds (distance) P-C4' energy: -60.672 flat angles C4'-P-C4' energy: -66.853 flat angles P-C4'-P energy: -30.098 tors. eta vs tors. theta energy: -61.003 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: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -745.898969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.898969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.898969 (E_RNA) where: Base-Base interactions energy: -474.927 where: short stacking energy: -246.260 Base-Backbone interact. energy: 0.822 local terms energy: -271.794577 where: bonds (distance) C4'-P energy: -51.554 bonds (distance) P-C4' energy: -60.076 flat angles C4'-P-C4' energy: -58.006 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: -55.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -505.368716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.368716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.368716 (E_RNA) where: Base-Base interactions energy: -277.829 where: short stacking energy: -151.957 Base-Backbone interact. energy: -0.771 local terms energy: -226.768690 where: bonds (distance) C4'-P energy: -50.250 bonds (distance) P-C4' energy: -58.552 flat angles C4'-P-C4' energy: -58.750 flat angles P-C4'-P energy: -40.401 tors. eta vs tors. theta energy: -18.816 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: 10 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -319.010627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.010627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.010627 (E_RNA) where: Base-Base interactions energy: -142.710 where: short stacking energy: -76.417 Base-Backbone interact. energy: 4.065 local terms energy: -180.365679 where: bonds (distance) C4'-P energy: -47.522 bonds (distance) P-C4' energy: -67.092 flat angles C4'-P-C4' energy: -55.603 flat angles P-C4'-P energy: -22.275 tors. eta vs tors. theta energy: 12.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -296.579268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.579268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.579268 (E_RNA) where: Base-Base interactions energy: -97.647 where: short stacking energy: -81.889 Base-Backbone interact. energy: -0.993 local terms energy: -197.938596 where: bonds (distance) C4'-P energy: -56.568 bonds (distance) P-C4' energy: -70.856 flat angles C4'-P-C4' energy: -45.707 flat angles P-C4'-P energy: -23.932 tors. eta vs tors. theta energy: -0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1162.764823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.764823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.764823 (E_RNA) where: Base-Base interactions energy: -790.064 where: short stacking energy: -369.972 Base-Backbone interact. energy: -1.237 local terms energy: -371.463484 where: bonds (distance) C4'-P energy: -70.803 bonds (distance) P-C4' energy: -65.737 flat angles C4'-P-C4' energy: -80.922 flat angles P-C4'-P energy: -52.283 tors. eta vs tors. theta energy: -101.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1122.208513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.208513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.208513 (E_RNA) where: Base-Base interactions energy: -764.328 where: short stacking energy: -357.538 Base-Backbone interact. energy: 0.663 local terms energy: -358.544076 where: bonds (distance) C4'-P energy: -65.180 bonds (distance) P-C4' energy: -73.766 flat angles C4'-P-C4' energy: -74.043 flat angles P-C4'-P energy: -45.358 tors. eta vs tors. theta energy: -100.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -994.263556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.263556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.263556 (E_RNA) where: Base-Base interactions energy: -651.013 where: short stacking energy: -325.967 Base-Backbone interact. energy: 6.105 local terms energy: -349.355888 where: bonds (distance) C4'-P energy: -65.542 bonds (distance) P-C4' energy: -66.221 flat angles C4'-P-C4' energy: -76.780 flat angles P-C4'-P energy: -43.546 tors. eta vs tors. theta energy: -97.267 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: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1007.973786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.973786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.973786 (E_RNA) where: Base-Base interactions energy: -670.185 where: short stacking energy: -310.773 Base-Backbone interact. energy: -0.690 local terms energy: -337.099577 where: bonds (distance) C4'-P energy: -61.451 bonds (distance) P-C4' energy: -64.733 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -49.634 tors. eta vs tors. theta energy: -88.720 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: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -910.475436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.475436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.475436 (E_RNA) where: Base-Base interactions energy: -586.416 where: short stacking energy: -281.940 Base-Backbone interact. energy: -0.793 local terms energy: -323.266040 where: bonds (distance) C4'-P energy: -61.911 bonds (distance) P-C4' energy: -64.332 flat angles C4'-P-C4' energy: -72.327 flat angles P-C4'-P energy: -36.618 tors. eta vs tors. theta energy: -88.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -788.371006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.371006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.371006 (E_RNA) where: Base-Base interactions energy: -504.881 where: short stacking energy: -233.725 Base-Backbone interact. energy: -3.850 local terms energy: -279.640181 where: bonds (distance) C4'-P energy: -67.542 bonds (distance) P-C4' energy: -50.729 flat angles C4'-P-C4' energy: -55.261 flat angles P-C4'-P energy: -45.908 tors. eta vs tors. theta energy: -60.201 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: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -711.264131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.264131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.264131 (E_RNA) where: Base-Base interactions energy: -446.211 where: short stacking energy: -206.973 Base-Backbone interact. energy: 9.017 local terms energy: -274.070065 where: bonds (distance) C4'-P energy: -48.586 bonds (distance) P-C4' energy: -68.378 flat angles C4'-P-C4' energy: -63.860 flat angles P-C4'-P energy: -50.597 tors. eta vs tors. theta energy: -42.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -533.261971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.261971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.261971 (E_RNA) where: Base-Base interactions energy: -303.540 where: short stacking energy: -172.355 Base-Backbone interact. energy: 0.947 local terms energy: -230.669206 where: bonds (distance) C4'-P energy: -63.029 bonds (distance) P-C4' energy: -66.802 flat angles C4'-P-C4' energy: -57.188 flat angles P-C4'-P energy: -17.002 tors. eta vs tors. theta energy: -26.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -376.200034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.200034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.200034 (E_RNA) where: Base-Base interactions energy: -155.270 where: short stacking energy: -120.469 Base-Backbone interact. energy: -0.519 local terms energy: -220.411308 where: bonds (distance) C4'-P energy: -60.359 bonds (distance) P-C4' energy: -50.152 flat angles C4'-P-C4' energy: -68.558 flat angles P-C4'-P energy: -31.687 tors. eta vs tors. theta energy: -9.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -283.196468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.196468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.196468 (E_RNA) where: Base-Base interactions energy: -91.415 where: short stacking energy: -82.045 Base-Backbone interact. energy: -1.194 local terms energy: -190.587166 where: bonds (distance) C4'-P energy: -54.912 bonds (distance) P-C4' energy: -66.867 flat angles C4'-P-C4' energy: -48.416 flat angles P-C4'-P energy: -21.160 tors. eta vs tors. theta energy: 0.768 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: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1149.660314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.660314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.660314 (E_RNA) where: Base-Base interactions energy: -787.152 where: short stacking energy: -361.754 Base-Backbone interact. energy: -1.652 local terms energy: -360.855935 where: bonds (distance) C4'-P energy: -61.089 bonds (distance) P-C4' energy: -63.550 flat angles C4'-P-C4' energy: -80.254 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: -107.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1132.652129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.652129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.652129 (E_RNA) where: Base-Base interactions energy: -777.976 where: short stacking energy: -364.328 Base-Backbone interact. energy: -0.457 local terms energy: -354.219664 where: bonds (distance) C4'-P energy: -64.281 bonds (distance) P-C4' energy: -65.628 flat angles C4'-P-C4' energy: -78.085 flat angles P-C4'-P energy: -45.303 tors. eta vs tors. theta energy: -100.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1047.733251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.733251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.733251 (E_RNA) where: Base-Base interactions energy: -696.931 where: short stacking energy: -337.074 Base-Backbone interact. energy: -0.801 local terms energy: -350.001325 where: bonds (distance) C4'-P energy: -61.490 bonds (distance) P-C4' energy: -66.868 flat angles C4'-P-C4' energy: -82.675 flat angles P-C4'-P energy: -47.871 tors. eta vs tors. theta energy: -91.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -972.739667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.739667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.739667 (E_RNA) where: Base-Base interactions energy: -629.027 where: short stacking energy: -305.913 Base-Backbone interact. energy: 0.007 local terms energy: -343.719488 where: bonds (distance) C4'-P energy: -66.094 bonds (distance) P-C4' energy: -74.003 flat angles C4'-P-C4' energy: -63.936 flat angles P-C4'-P energy: -52.493 tors. eta vs tors. theta energy: -87.194 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: 174 Temperature: 1.100000 Total energy: -902.135044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.135044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.135044 (E_RNA) where: Base-Base interactions energy: -588.928 where: short stacking energy: -276.168 Base-Backbone interact. energy: -1.434 local terms energy: -311.772920 where: bonds (distance) C4'-P energy: -60.293 bonds (distance) P-C4' energy: -57.629 flat angles C4'-P-C4' energy: -71.724 flat angles P-C4'-P energy: -42.005 tors. eta vs tors. theta energy: -80.122 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: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -823.530618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.530618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.530618 (E_RNA) where: Base-Base interactions energy: -520.636 where: short stacking energy: -266.635 Base-Backbone interact. energy: -0.035 local terms energy: -302.860050 where: bonds (distance) C4'-P energy: -62.076 bonds (distance) P-C4' energy: -69.642 flat angles C4'-P-C4' energy: -61.240 flat angles P-C4'-P energy: -40.512 tors. eta vs tors. theta energy: -69.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -735.956282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.956282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.956282 (E_RNA) where: Base-Base interactions energy: -459.142 where: short stacking energy: -239.481 Base-Backbone interact. energy: 2.661 local terms energy: -279.475230 where: bonds (distance) C4'-P energy: -51.879 bonds (distance) P-C4' energy: -65.701 flat angles C4'-P-C4' energy: -67.368 flat angles P-C4'-P energy: -39.135 tors. eta vs tors. theta energy: -55.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -545.230368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.230368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.230368 (E_RNA) where: Base-Base interactions energy: -313.548 where: short stacking energy: -171.249 Base-Backbone interact. energy: 1.464 local terms energy: -233.145672 where: bonds (distance) C4'-P energy: -47.687 bonds (distance) P-C4' energy: -56.307 flat angles C4'-P-C4' energy: -62.749 flat angles P-C4'-P energy: -43.141 tors. eta vs tors. theta energy: -23.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -374.093673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.093673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.093673 (E_RNA) where: Base-Base interactions energy: -154.636 where: short stacking energy: -119.244 Base-Backbone interact. energy: -1.208 local terms energy: -218.249316 where: bonds (distance) C4'-P energy: -44.148 bonds (distance) P-C4' energy: -68.824 flat angles C4'-P-C4' energy: -63.999 flat angles P-C4'-P energy: -28.725 tors. eta vs tors. theta energy: -12.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -301.124680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.124680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.124680 (E_RNA) where: Base-Base interactions energy: -103.737 where: short stacking energy: -87.516 Base-Backbone interact. energy: 5.784 local terms energy: -203.171501 where: bonds (distance) C4'-P energy: -46.558 bonds (distance) P-C4' energy: -59.270 flat angles C4'-P-C4' energy: -59.022 flat angles P-C4'-P energy: -31.310 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1144.766359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.766359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.766359 (E_RNA) where: Base-Base interactions energy: -778.784 where: short stacking energy: -335.819 Base-Backbone interact. energy: 0.162 local terms energy: -366.144750 where: bonds (distance) C4'-P energy: -64.348 bonds (distance) P-C4' energy: -72.543 flat angles C4'-P-C4' energy: -71.492 flat angles P-C4'-P energy: -58.235 tors. eta vs tors. theta energy: -99.526 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: 1 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1106.165237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.165237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.165237 (E_RNA) where: Base-Base interactions energy: -741.532 where: short stacking energy: -352.696 Base-Backbone interact. energy: -0.140 local terms energy: -364.493298 where: bonds (distance) C4'-P energy: -71.648 bonds (distance) P-C4' energy: -64.977 flat angles C4'-P-C4' energy: -79.546 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: -101.561 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: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1040.633027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.633027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.633027 (E_RNA) where: Base-Base interactions energy: -693.694 where: short stacking energy: -330.347 Base-Backbone interact. energy: 0.309 local terms energy: -347.248153 where: bonds (distance) C4'-P energy: -61.619 bonds (distance) P-C4' energy: -67.280 flat angles C4'-P-C4' energy: -70.342 flat angles P-C4'-P energy: -55.803 tors. eta vs tors. theta energy: -92.205 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: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -953.315048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.315048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.315048 (E_RNA) where: Base-Base interactions energy: -633.217 where: short stacking energy: -295.706 Base-Backbone interact. energy: 0.716 local terms energy: -320.813369 where: bonds (distance) C4'-P energy: -75.935 bonds (distance) P-C4' energy: -52.800 flat angles C4'-P-C4' energy: -71.661 flat angles P-C4'-P energy: -48.302 tors. eta vs tors. theta energy: -72.115 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: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -923.533407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.533407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.533407 (E_RNA) where: Base-Base interactions energy: -621.801 where: short stacking energy: -313.224 Base-Backbone interact. energy: -0.629 local terms energy: -301.103862 where: bonds (distance) C4'-P energy: -53.550 bonds (distance) P-C4' energy: -56.237 flat angles C4'-P-C4' energy: -61.362 flat angles P-C4'-P energy: -43.355 tors. eta vs tors. theta energy: -86.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -730.682903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.682903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.682903 (E_RNA) where: Base-Base interactions energy: -443.304 where: short stacking energy: -220.946 Base-Backbone interact. energy: -1.049 local terms energy: -286.329880 where: bonds (distance) C4'-P energy: -67.667 bonds (distance) P-C4' energy: -76.623 flat angles C4'-P-C4' energy: -51.065 flat angles P-C4'-P energy: -34.610 tors. eta vs tors. theta energy: -56.364 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: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -768.854473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.854473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.854473 (E_RNA) where: Base-Base interactions energy: -484.555 where: short stacking energy: -223.054 Base-Backbone interact. energy: 1.947 local terms energy: -286.246933 where: bonds (distance) C4'-P energy: -56.519 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -64.331 flat angles P-C4'-P energy: -44.450 tors. eta vs tors. theta energy: -59.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -507.938749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.938749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.938749 (E_RNA) where: Base-Base interactions energy: -290.932 where: short stacking energy: -167.729 Base-Backbone interact. energy: -1.053 local terms energy: -215.953877 where: bonds (distance) C4'-P energy: -53.657 bonds (distance) P-C4' energy: -50.209 flat angles C4'-P-C4' energy: -41.367 flat angles P-C4'-P energy: -38.767 tors. eta vs tors. theta energy: -31.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -364.916909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.916909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.916909 (E_RNA) where: Base-Base interactions energy: -163.624 where: short stacking energy: -110.104 Base-Backbone interact. energy: 3.152 local terms energy: -204.445525 where: bonds (distance) C4'-P energy: -50.667 bonds (distance) P-C4' energy: -57.962 flat angles C4'-P-C4' energy: -53.532 flat angles P-C4'-P energy: -36.277 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -299.583595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.583595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.583595 (E_RNA) where: Base-Base interactions energy: -114.614 where: short stacking energy: -86.318 Base-Backbone interact. energy: -3.276 local terms energy: -181.693706 where: bonds (distance) C4'-P energy: -52.872 bonds (distance) P-C4' energy: -70.009 flat angles C4'-P-C4' energy: -54.803 flat angles P-C4'-P energy: -20.410 tors. eta vs tors. theta energy: 16.401 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: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1136.807335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.807335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.807335 (E_RNA) where: Base-Base interactions energy: -748.772 where: short stacking energy: -363.367 Base-Backbone interact. energy: -1.624 local terms energy: -386.411885 where: bonds (distance) C4'-P energy: -64.390 bonds (distance) P-C4' energy: -68.109 flat angles C4'-P-C4' energy: -85.793 flat angles P-C4'-P energy: -58.147 tors. eta vs tors. theta energy: -109.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1142.096891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.096891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.096891 (E_RNA) where: Base-Base interactions energy: -781.594 where: short stacking energy: -353.048 Base-Backbone interact. energy: -2.370 local terms energy: -358.132526 where: bonds (distance) C4'-P energy: -65.623 bonds (distance) P-C4' energy: -66.909 flat angles C4'-P-C4' energy: -72.433 flat angles P-C4'-P energy: -46.129 tors. eta vs tors. theta energy: -107.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1049.914102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.914102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.914102 (E_RNA) where: Base-Base interactions energy: -695.859 where: short stacking energy: -319.983 Base-Backbone interact. energy: -1.055 local terms energy: -353.000046 where: bonds (distance) C4'-P energy: -61.612 bonds (distance) P-C4' energy: -70.952 flat angles C4'-P-C4' energy: -74.738 flat angles P-C4'-P energy: -51.710 tors. eta vs tors. theta energy: -93.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -919.682692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.682692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.682692 (E_RNA) where: Base-Base interactions energy: -607.273 where: short stacking energy: -302.648 Base-Backbone interact. energy: -0.595 local terms energy: -311.814304 where: bonds (distance) C4'-P energy: -58.429 bonds (distance) P-C4' energy: -67.379 flat angles C4'-P-C4' energy: -58.707 flat angles P-C4'-P energy: -49.651 tors. eta vs tors. theta energy: -77.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -912.434334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.434334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.434334 (E_RNA) where: Base-Base interactions energy: -595.053 where: short stacking energy: -282.049 Base-Backbone interact. energy: 1.053 local terms energy: -318.433859 where: bonds (distance) C4'-P energy: -59.765 bonds (distance) P-C4' energy: -71.068 flat angles C4'-P-C4' energy: -68.786 flat angles P-C4'-P energy: -40.774 tors. eta vs tors. theta energy: -78.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -724.382721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.382721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.382721 (E_RNA) where: Base-Base interactions energy: -447.583 where: short stacking energy: -217.720 Base-Backbone interact. energy: 0.572 local terms energy: -277.371359 where: bonds (distance) C4'-P energy: -54.461 bonds (distance) P-C4' energy: -65.855 flat angles C4'-P-C4' energy: -61.997 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: -53.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -812.674271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.674271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.674271 (E_RNA) where: Base-Base interactions energy: -533.024 where: short stacking energy: -251.005 Base-Backbone interact. energy: -0.725 local terms energy: -278.925092 where: bonds (distance) C4'-P energy: -67.749 bonds (distance) P-C4' energy: -54.470 flat angles C4'-P-C4' energy: -59.359 flat angles P-C4'-P energy: -38.882 tors. eta vs tors. theta energy: -58.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -553.542879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.542879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.542879 (E_RNA) where: Base-Base interactions energy: -343.827 where: short stacking energy: -171.083 Base-Backbone interact. energy: -1.857 local terms energy: -207.859352 where: bonds (distance) C4'-P energy: -50.271 bonds (distance) P-C4' energy: -54.130 flat angles C4'-P-C4' energy: -54.096 flat angles P-C4'-P energy: -36.044 tors. eta vs tors. theta energy: -13.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -338.691739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.691739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.691739 (E_RNA) where: Base-Base interactions energy: -145.245 where: short stacking energy: -93.091 Base-Backbone interact. energy: -1.991 local terms energy: -191.455991 where: bonds (distance) C4'-P energy: -51.029 bonds (distance) P-C4' energy: -48.095 flat angles C4'-P-C4' energy: -49.108 flat angles P-C4'-P energy: -44.791 tors. eta vs tors. theta energy: 1.567 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: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -315.036812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.036812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.036812 (E_RNA) where: Base-Base interactions energy: -107.841 where: short stacking energy: -103.939 Base-Backbone interact. energy: -0.438 local terms energy: -206.757956 where: bonds (distance) C4'-P energy: -59.810 bonds (distance) P-C4' energy: -44.420 flat angles C4'-P-C4' energy: -56.786 flat angles P-C4'-P energy: -36.550 tors. eta vs tors. theta energy: -9.192 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: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1139.382914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.382914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.382914 (E_RNA) where: Base-Base interactions energy: -749.822 where: short stacking energy: -355.912 Base-Backbone interact. energy: -1.689 local terms energy: -387.872092 where: bonds (distance) C4'-P energy: -75.260 bonds (distance) P-C4' energy: -77.468 flat angles C4'-P-C4' energy: -77.870 flat angles P-C4'-P energy: -55.200 tors. eta vs tors. theta energy: -102.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1147.141832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.141832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.141832 (E_RNA) where: Base-Base interactions energy: -775.807 where: short stacking energy: -374.617 Base-Backbone interact. energy: 0.812 local terms energy: -372.147647 where: bonds (distance) C4'-P energy: -69.091 bonds (distance) P-C4' energy: -63.846 flat angles C4'-P-C4' energy: -79.603 flat angles P-C4'-P energy: -54.163 tors. eta vs tors. theta energy: -105.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1040.766587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.766587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.766587 (E_RNA) where: Base-Base interactions energy: -704.637 where: short stacking energy: -326.364 Base-Backbone interact. energy: -0.377 local terms energy: -335.752522 where: bonds (distance) C4'-P energy: -53.237 bonds (distance) P-C4' energy: -67.452 flat angles C4'-P-C4' energy: -69.115 flat angles P-C4'-P energy: -57.332 tors. eta vs tors. theta energy: -88.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -980.059510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.059510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.059510 (E_RNA) where: Base-Base interactions energy: -658.781 where: short stacking energy: -307.109 Base-Backbone interact. energy: 3.958 local terms energy: -325.237176 where: bonds (distance) C4'-P energy: -58.345 bonds (distance) P-C4' energy: -63.021 flat angles C4'-P-C4' energy: -66.750 flat angles P-C4'-P energy: -52.263 tors. eta vs tors. theta energy: -84.859 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: 5, replica: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -901.138730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.138730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.138730 (E_RNA) where: Base-Base interactions energy: -594.669 where: short stacking energy: -271.611 Base-Backbone interact. energy: -1.211 local terms energy: -305.259109 where: bonds (distance) C4'-P energy: -53.811 bonds (distance) P-C4' energy: -62.688 flat angles C4'-P-C4' energy: -69.435 flat angles P-C4'-P energy: -45.639 tors. eta vs tors. theta energy: -73.686 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: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -800.325240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.325240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.325240 (E_RNA) where: Base-Base interactions energy: -503.904 where: short stacking energy: -257.387 Base-Backbone interact. energy: -0.310 local terms energy: -296.111209 where: bonds (distance) C4'-P energy: -77.690 bonds (distance) P-C4' energy: -58.990 flat angles C4'-P-C4' energy: -61.549 flat angles P-C4'-P energy: -44.328 tors. eta vs tors. theta energy: -53.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -720.815808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.815808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.815808 (E_RNA) where: Base-Base interactions energy: -440.684 where: short stacking energy: -235.702 Base-Backbone interact. energy: 2.195 local terms energy: -282.327294 where: bonds (distance) C4'-P energy: -60.407 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -58.346 flat angles P-C4'-P energy: -38.140 tors. eta vs tors. theta energy: -62.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -526.139120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.139120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.139120 (E_RNA) where: Base-Base interactions energy: -289.181 where: short stacking energy: -138.536 Base-Backbone interact. energy: 5.832 local terms energy: -242.790529 where: bonds (distance) C4'-P energy: -63.159 bonds (distance) P-C4' energy: -60.435 flat angles C4'-P-C4' energy: -56.562 flat angles P-C4'-P energy: -43.144 tors. eta vs tors. theta energy: -19.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -326.173305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.173305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.173305 (E_RNA) where: Base-Base interactions energy: -111.061 where: short stacking energy: -72.296 Base-Backbone interact. energy: 2.481 local terms energy: -217.593738 where: bonds (distance) C4'-P energy: -55.878 bonds (distance) P-C4' energy: -68.562 flat angles C4'-P-C4' energy: -47.564 flat angles P-C4'-P energy: -40.320 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: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -285.876519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.876519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.876519 (E_RNA) where: Base-Base interactions energy: -102.114 where: short stacking energy: -85.647 Base-Backbone interact. energy: 2.427 local terms energy: -186.189975 where: bonds (distance) C4'-P energy: -56.859 bonds (distance) P-C4' energy: -60.038 flat angles C4'-P-C4' energy: -55.997 flat angles P-C4'-P energy: -25.463 tors. eta vs tors. theta energy: 12.167 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: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1153.384734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.384734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.384734 (E_RNA) where: Base-Base interactions energy: -771.999 where: short stacking energy: -373.167 Base-Backbone interact. energy: -0.640 local terms energy: -380.745953 where: bonds (distance) C4'-P energy: -68.070 bonds (distance) P-C4' energy: -72.322 flat angles C4'-P-C4' energy: -81.067 flat angles P-C4'-P energy: -52.677 tors. eta vs tors. theta energy: -106.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1136.435678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.435678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.435678 (E_RNA) where: Base-Base interactions energy: -771.468 where: short stacking energy: -364.411 Base-Backbone interact. energy: -0.601 local terms energy: -364.367417 where: bonds (distance) C4'-P energy: -69.380 bonds (distance) P-C4' energy: -69.135 flat angles C4'-P-C4' energy: -71.972 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: -105.853 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: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1047.860371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.860371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.860371 (E_RNA) where: Base-Base interactions energy: -684.940 where: short stacking energy: -335.169 Base-Backbone interact. energy: -0.458 local terms energy: -362.462951 where: bonds (distance) C4'-P energy: -73.025 bonds (distance) P-C4' energy: -63.850 flat angles C4'-P-C4' energy: -78.993 flat angles P-C4'-P energy: -47.999 tors. eta vs tors. theta energy: -98.597 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: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -935.682096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.682096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.682096 (E_RNA) where: Base-Base interactions energy: -604.171 where: short stacking energy: -304.388 Base-Backbone interact. energy: 0.031 local terms energy: -331.542101 where: bonds (distance) C4'-P energy: -71.474 bonds (distance) P-C4' energy: -68.110 flat angles C4'-P-C4' energy: -66.076 flat angles P-C4'-P energy: -43.381 tors. eta vs tors. theta energy: -82.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -966.463856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.463856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.463856 (E_RNA) where: Base-Base interactions energy: -627.156 where: short stacking energy: -297.914 Base-Backbone interact. energy: -1.614 local terms energy: -337.693953 where: bonds (distance) C4'-P energy: -73.018 bonds (distance) P-C4' energy: -70.763 flat angles C4'-P-C4' energy: -61.510 flat angles P-C4'-P energy: -41.471 tors. eta vs tors. theta energy: -90.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -817.201125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.201125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.201125 (E_RNA) where: Base-Base interactions energy: -517.539 where: short stacking energy: -239.844 Base-Backbone interact. energy: -1.591 local terms energy: -298.071070 where: bonds (distance) C4'-P energy: -60.542 bonds (distance) P-C4' energy: -70.760 flat angles C4'-P-C4' energy: -62.138 flat angles P-C4'-P energy: -46.883 tors. eta vs tors. theta energy: -57.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -727.066312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.066312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.066312 (E_RNA) where: Base-Base interactions energy: -463.134 where: short stacking energy: -215.733 Base-Backbone interact. energy: 1.971 local terms energy: -265.903621 where: bonds (distance) C4'-P energy: -60.559 bonds (distance) P-C4' energy: -56.744 flat angles C4'-P-C4' energy: -60.222 flat angles P-C4'-P energy: -35.123 tors. eta vs tors. theta energy: -53.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -534.626398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.626398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.626398 (E_RNA) where: Base-Base interactions energy: -330.038 where: short stacking energy: -164.184 Base-Backbone interact. energy: 2.813 local terms energy: -207.401106 where: bonds (distance) C4'-P energy: -39.468 bonds (distance) P-C4' energy: -61.166 flat angles C4'-P-C4' energy: -55.345 flat angles P-C4'-P energy: -29.366 tors. eta vs tors. theta energy: -22.057 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: 10 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -307.157144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.157144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.157144 (E_RNA) where: Base-Base interactions energy: -101.862 where: short stacking energy: -92.636 Base-Backbone interact. energy: 3.894 local terms energy: -209.188914 where: bonds (distance) C4'-P energy: -64.818 bonds (distance) P-C4' energy: -65.588 flat angles C4'-P-C4' energy: -47.687 flat angles P-C4'-P energy: -26.243 tors. eta vs tors. theta energy: -4.853 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: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -291.542163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.542163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.542163 (E_RNA) where: Base-Base interactions energy: -105.061 where: short stacking energy: -98.805 Base-Backbone interact. energy: -0.250 local terms energy: -186.231945 where: bonds (distance) C4'-P energy: -53.851 bonds (distance) P-C4' energy: -51.001 flat angles C4'-P-C4' energy: -39.013 flat angles P-C4'-P energy: -32.076 tors. eta vs tors. theta energy: -10.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1166.189425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.189425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.189425 (E_RNA) where: Base-Base interactions energy: -775.734 where: short stacking energy: -361.631 Base-Backbone interact. energy: -0.964 local terms energy: -389.491917 where: bonds (distance) C4'-P energy: -72.822 bonds (distance) P-C4' energy: -74.297 flat angles C4'-P-C4' energy: -80.221 flat angles P-C4'-P energy: -52.403 tors. eta vs tors. theta energy: -109.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1102.211904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.211904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.211904 (E_RNA) where: Base-Base interactions energy: -751.238 where: short stacking energy: -358.253 Base-Backbone interact. energy: 0.028 local terms energy: -351.001365 where: bonds (distance) C4'-P energy: -62.862 bonds (distance) P-C4' energy: -61.507 flat angles C4'-P-C4' energy: -77.736 flat angles P-C4'-P energy: -50.841 tors. eta vs tors. theta energy: -98.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1110.900636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.900636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.900636 (E_RNA) where: Base-Base interactions energy: -748.551 where: short stacking energy: -345.972 Base-Backbone interact. energy: 1.345 local terms energy: -363.695122 where: bonds (distance) C4'-P energy: -64.770 bonds (distance) P-C4' energy: -76.837 flat angles C4'-P-C4' energy: -75.017 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -102.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -979.360220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.360220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.360220 (E_RNA) where: Base-Base interactions energy: -656.865 where: short stacking energy: -306.794 Base-Backbone interact. energy: -0.917 local terms energy: -321.577557 where: bonds (distance) C4'-P energy: -56.196 bonds (distance) P-C4' energy: -73.236 flat angles C4'-P-C4' energy: -70.817 flat angles P-C4'-P energy: -43.925 tors. eta vs tors. theta energy: -77.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -912.037510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.037510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.037510 (E_RNA) where: Base-Base interactions energy: -599.316 where: short stacking energy: -275.204 Base-Backbone interact. energy: -0.751 local terms energy: -311.969611 where: bonds (distance) C4'-P energy: -47.128 bonds (distance) P-C4' energy: -66.187 flat angles C4'-P-C4' energy: -73.195 flat angles P-C4'-P energy: -45.922 tors. eta vs tors. theta energy: -79.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -870.339622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.339622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.339622 (E_RNA) where: Base-Base interactions energy: -572.280 where: short stacking energy: -252.583 Base-Backbone interact. energy: -1.176 local terms energy: -296.883717 where: bonds (distance) C4'-P energy: -58.195 bonds (distance) P-C4' energy: -60.459 flat angles C4'-P-C4' energy: -73.395 flat angles P-C4'-P energy: -38.923 tors. eta vs tors. theta energy: -65.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -794.364776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.364776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.364776 (E_RNA) where: Base-Base interactions energy: -519.622 where: short stacking energy: -251.009 Base-Backbone interact. energy: -1.856 local terms energy: -272.886466 where: bonds (distance) C4'-P energy: -56.912 bonds (distance) P-C4' energy: -57.011 flat angles C4'-P-C4' energy: -62.646 flat angles P-C4'-P energy: -34.726 tors. eta vs tors. theta energy: -61.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -500.218243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.218243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.218243 (E_RNA) where: Base-Base interactions energy: -287.128 where: short stacking energy: -143.410 Base-Backbone interact. energy: 0.348 local terms energy: -213.437339 where: bonds (distance) C4'-P energy: -56.347 bonds (distance) P-C4' energy: -54.862 flat angles C4'-P-C4' energy: -59.997 flat angles P-C4'-P energy: -29.753 tors. eta vs tors. theta energy: -12.479 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: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -319.882285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.882285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.882285 (E_RNA) where: Base-Base interactions energy: -122.240 where: short stacking energy: -110.069 Base-Backbone interact. energy: -0.751 local terms energy: -196.892033 where: bonds (distance) C4'-P energy: -63.851 bonds (distance) P-C4' energy: -66.985 flat angles C4'-P-C4' energy: -52.643 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -3.507 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: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -312.936315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.936315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.936315 (E_RNA) where: Base-Base interactions energy: -126.280 where: short stacking energy: -92.219 Base-Backbone interact. energy: -0.873 local terms energy: -185.783678 where: bonds (distance) C4'-P energy: -46.916 bonds (distance) P-C4' energy: -59.298 flat angles C4'-P-C4' energy: -44.347 flat angles P-C4'-P energy: -33.416 tors. eta vs tors. theta energy: -1.806 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: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1150.746790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.746790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.746790 (E_RNA) where: Base-Base interactions energy: -777.395 where: short stacking energy: -371.344 Base-Backbone interact. energy: 1.161 local terms energy: -374.513398 where: bonds (distance) C4'-P energy: -62.936 bonds (distance) P-C4' energy: -71.915 flat angles C4'-P-C4' energy: -78.665 flat angles P-C4'-P energy: -53.008 tors. eta vs tors. theta energy: -107.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1060.939107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.939107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.939107 (E_RNA) where: Base-Base interactions energy: -713.336 where: short stacking energy: -327.840 Base-Backbone interact. energy: -0.437 local terms energy: -347.165892 where: bonds (distance) C4'-P energy: -73.159 bonds (distance) P-C4' energy: -61.734 flat angles C4'-P-C4' energy: -76.974 flat angles P-C4'-P energy: -43.381 tors. eta vs tors. theta energy: -91.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1092.673406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.673406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.673406 (E_RNA) where: Base-Base interactions energy: -735.350 where: short stacking energy: -328.475 Base-Backbone interact. energy: -1.861 local terms energy: -355.462142 where: bonds (distance) C4'-P energy: -62.712 bonds (distance) P-C4' energy: -64.366 flat angles C4'-P-C4' energy: -72.859 flat angles P-C4'-P energy: -54.573 tors. eta vs tors. theta energy: -100.953 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: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1001.004131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.004131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.004131 (E_RNA) where: Base-Base interactions energy: -663.154 where: short stacking energy: -307.991 Base-Backbone interact. energy: -0.443 local terms energy: -337.406852 where: bonds (distance) C4'-P energy: -63.057 bonds (distance) P-C4' energy: -73.293 flat angles C4'-P-C4' energy: -63.113 flat angles P-C4'-P energy: -52.453 tors. eta vs tors. theta energy: -85.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -897.024474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.024474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.024474 (E_RNA) where: Base-Base interactions energy: -578.454 where: short stacking energy: -267.939 Base-Backbone interact. energy: -1.556 local terms energy: -317.014799 where: bonds (distance) C4'-P energy: -57.393 bonds (distance) P-C4' energy: -69.678 flat angles C4'-P-C4' energy: -75.780 flat angles P-C4'-P energy: -38.494 tors. eta vs tors. theta energy: -75.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -903.316939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.316939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.316939 (E_RNA) where: Base-Base interactions energy: -618.634 where: short stacking energy: -290.048 Base-Backbone interact. energy: 1.410 local terms energy: -286.093366 where: bonds (distance) C4'-P energy: -58.000 bonds (distance) P-C4' energy: -63.085 flat angles C4'-P-C4' energy: -52.788 flat angles P-C4'-P energy: -36.388 tors. eta vs tors. theta energy: -75.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -783.769518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.769518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.769518 (E_RNA) where: Base-Base interactions energy: -518.224 where: short stacking energy: -232.896 Base-Backbone interact. energy: -0.774 local terms energy: -264.772092 where: bonds (distance) C4'-P energy: -51.680 bonds (distance) P-C4' energy: -48.629 flat angles C4'-P-C4' energy: -54.189 flat angles P-C4'-P energy: -40.228 tors. eta vs tors. theta energy: -70.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -537.541906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.541906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.541906 (E_RNA) where: Base-Base interactions energy: -331.779 where: short stacking energy: -169.665 Base-Backbone interact. energy: 3.626 local terms energy: -209.388737 where: bonds (distance) C4'-P energy: -46.980 bonds (distance) P-C4' energy: -60.929 flat angles C4'-P-C4' energy: -46.329 flat angles P-C4'-P energy: -38.975 tors. eta vs tors. theta energy: -16.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -299.902989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.902989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.902989 (E_RNA) where: Base-Base interactions energy: -98.144 where: short stacking energy: -74.494 Base-Backbone interact. energy: -0.670 local terms energy: -201.089036 where: bonds (distance) C4'-P energy: -59.536 bonds (distance) P-C4' energy: -60.531 flat angles C4'-P-C4' energy: -49.458 flat angles P-C4'-P energy: -29.109 tors. eta vs tors. theta energy: -2.455 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: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -299.466344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.466344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.466344 (E_RNA) where: Base-Base interactions energy: -108.425 where: short stacking energy: -78.011 Base-Backbone interact. energy: 1.824 local terms energy: -192.865947 where: bonds (distance) C4'-P energy: -60.611 bonds (distance) P-C4' energy: -61.401 flat angles C4'-P-C4' energy: -49.668 flat angles P-C4'-P energy: -32.414 tors. eta vs tors. theta energy: 11.228 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: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1162.269505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.269505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.269505 (E_RNA) where: Base-Base interactions energy: -787.838 where: short stacking energy: -368.348 Base-Backbone interact. energy: -0.934 local terms energy: -373.497641 where: bonds (distance) C4'-P energy: -65.565 bonds (distance) P-C4' energy: -66.915 flat angles C4'-P-C4' energy: -79.788 flat angles P-C4'-P energy: -54.030 tors. eta vs tors. theta energy: -107.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1147.487730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.487730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.487730 (E_RNA) where: Base-Base interactions energy: -773.575 where: short stacking energy: -358.902 Base-Backbone interact. energy: 1.097 local terms energy: -375.010114 where: bonds (distance) C4'-P energy: -67.736 bonds (distance) P-C4' energy: -72.389 flat angles C4'-P-C4' energy: -78.508 flat angles P-C4'-P energy: -49.595 tors. eta vs tors. theta energy: -106.782 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: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1069.245116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.245116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.245116 (E_RNA) where: Base-Base interactions energy: -709.830 where: short stacking energy: -349.396 Base-Backbone interact. energy: -1.610 local terms energy: -357.805224 where: bonds (distance) C4'-P energy: -65.022 bonds (distance) P-C4' energy: -61.328 flat angles C4'-P-C4' energy: -79.132 flat angles P-C4'-P energy: -49.440 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: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -957.719284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.719284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.719284 (E_RNA) where: Base-Base interactions energy: -623.158 where: short stacking energy: -284.959 Base-Backbone interact. energy: 1.298 local terms energy: -335.858791 where: bonds (distance) C4'-P energy: -58.752 bonds (distance) P-C4' energy: -70.952 flat angles C4'-P-C4' energy: -71.657 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: -80.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -862.887631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.887631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.887631 (E_RNA) where: Base-Base interactions energy: -553.544 where: short stacking energy: -252.550 Base-Backbone interact. energy: 1.019 local terms energy: -310.362370 where: bonds (distance) C4'-P energy: -60.219 bonds (distance) P-C4' energy: -81.259 flat angles C4'-P-C4' energy: -65.299 flat angles P-C4'-P energy: -42.575 tors. eta vs tors. theta energy: -61.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -869.526496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.526496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.526496 (E_RNA) where: Base-Base interactions energy: -576.276 where: short stacking energy: -255.682 Base-Backbone interact. energy: 0.768 local terms energy: -294.019128 where: bonds (distance) C4'-P energy: -67.703 bonds (distance) P-C4' energy: -60.328 flat angles C4'-P-C4' energy: -56.396 flat angles P-C4'-P energy: -43.428 tors. eta vs tors. theta energy: -66.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -812.662031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.662031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.662031 (E_RNA) where: Base-Base interactions energy: -535.381 where: short stacking energy: -245.228 Base-Backbone interact. energy: 0.729 local terms energy: -278.010184 where: bonds (distance) C4'-P energy: -50.987 bonds (distance) P-C4' energy: -57.650 flat angles C4'-P-C4' energy: -64.442 flat angles P-C4'-P energy: -46.185 tors. eta vs tors. theta energy: -58.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -508.618503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.618503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.618503 (E_RNA) where: Base-Base interactions energy: -257.683 where: short stacking energy: -160.198 Base-Backbone interact. energy: -2.322 local terms energy: -248.613419 where: bonds (distance) C4'-P energy: -57.962 bonds (distance) P-C4' energy: -71.373 flat angles C4'-P-C4' energy: -54.287 flat angles P-C4'-P energy: -38.563 tors. eta vs tors. theta energy: -26.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -315.237208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.237208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.237208 (E_RNA) where: Base-Base interactions energy: -128.446 where: short stacking energy: -110.318 Base-Backbone interact. energy: 2.956 local terms energy: -189.747481 where: bonds (distance) C4'-P energy: -49.543 bonds (distance) P-C4' energy: -60.184 flat angles C4'-P-C4' energy: -55.149 flat angles P-C4'-P energy: -26.486 tors. eta vs tors. theta energy: 1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -356.457562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.457562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.457562 (E_RNA) where: Base-Base interactions energy: -149.627 where: short stacking energy: -96.579 Base-Backbone interact. energy: 1.922 local terms energy: -208.752412 where: bonds (distance) C4'-P energy: -47.708 bonds (distance) P-C4' energy: -64.977 flat angles C4'-P-C4' energy: -52.799 flat angles P-C4'-P energy: -30.706 tors. eta vs tors. theta energy: -12.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1176.680768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.680768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.680768 (E_RNA) where: Base-Base interactions energy: -784.497 where: short stacking energy: -366.804 Base-Backbone interact. energy: -2.096 local terms energy: -390.088152 where: bonds (distance) C4'-P energy: -68.576 bonds (distance) P-C4' energy: -74.560 flat angles C4'-P-C4' energy: -84.944 flat angles P-C4'-P energy: -52.051 tors. eta vs tors. theta energy: -109.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1163.713750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.713750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.713750 (E_RNA) where: Base-Base interactions energy: -792.462 where: short stacking energy: -374.572 Base-Backbone interact. energy: -0.451 local terms energy: -370.800486 where: bonds (distance) C4'-P energy: -60.412 bonds (distance) P-C4' energy: -67.489 flat angles C4'-P-C4' energy: -79.152 flat angles P-C4'-P energy: -55.147 tors. eta vs tors. theta energy: -108.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1050.508035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.508035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.508035 (E_RNA) where: Base-Base interactions energy: -698.103 where: short stacking energy: -338.122 Base-Backbone interact. energy: -1.537 local terms energy: -350.867728 where: bonds (distance) C4'-P energy: -64.542 bonds (distance) P-C4' energy: -57.455 flat angles C4'-P-C4' energy: -79.971 flat angles P-C4'-P energy: -47.395 tors. eta vs tors. theta energy: -101.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -958.023526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.023526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.023526 (E_RNA) where: Base-Base interactions energy: -645.800 where: short stacking energy: -311.524 Base-Backbone interact. energy: -2.474 local terms energy: -309.749604 where: bonds (distance) C4'-P energy: -51.100 bonds (distance) P-C4' energy: -65.887 flat angles C4'-P-C4' energy: -73.805 flat angles P-C4'-P energy: -38.476 tors. eta vs tors. theta energy: -80.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -863.767482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.767482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.767482 (E_RNA) where: Base-Base interactions energy: -560.346 where: short stacking energy: -265.379 Base-Backbone interact. energy: 0.146 local terms energy: -303.567087 where: bonds (distance) C4'-P energy: -63.027 bonds (distance) P-C4' energy: -69.764 flat angles C4'-P-C4' energy: -69.093 flat angles P-C4'-P energy: -33.834 tors. eta vs tors. theta energy: -67.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -860.510846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.510846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.510846 (E_RNA) where: Base-Base interactions energy: -572.730 where: short stacking energy: -243.390 Base-Backbone interact. energy: 1.713 local terms energy: -289.493841 where: bonds (distance) C4'-P energy: -48.925 bonds (distance) P-C4' energy: -62.737 flat angles C4'-P-C4' energy: -67.954 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -60.535 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: 182 Temperature: 1.200000 Total energy: -787.087514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.087514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.087514 (E_RNA) where: Base-Base interactions energy: -502.006 where: short stacking energy: -232.345 Base-Backbone interact. energy: -0.523 local terms energy: -284.558725 where: bonds (distance) C4'-P energy: -41.999 bonds (distance) P-C4' energy: -74.498 flat angles C4'-P-C4' energy: -64.690 flat angles P-C4'-P energy: -38.297 tors. eta vs tors. theta energy: -65.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -506.066364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.066364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.066364 (E_RNA) where: Base-Base interactions energy: -264.355 where: short stacking energy: -134.455 Base-Backbone interact. energy: -1.786 local terms energy: -239.925210 where: bonds (distance) C4'-P energy: -62.558 bonds (distance) P-C4' energy: -66.498 flat angles C4'-P-C4' energy: -58.204 flat angles P-C4'-P energy: -37.222 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -373.186717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.186717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.186717 (E_RNA) where: Base-Base interactions energy: -155.104 where: short stacking energy: -120.898 Base-Backbone interact. energy: 1.481 local terms energy: -219.563594 where: bonds (distance) C4'-P energy: -53.430 bonds (distance) P-C4' energy: -64.556 flat angles C4'-P-C4' energy: -59.704 flat angles P-C4'-P energy: -29.995 tors. eta vs tors. theta energy: -11.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -278.946013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.946013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.946013 (E_RNA) where: Base-Base interactions energy: -81.101 where: short stacking energy: -76.325 Base-Backbone interact. energy: -0.072 local terms energy: -197.773664 where: bonds (distance) C4'-P energy: -52.534 bonds (distance) P-C4' energy: -63.240 flat angles C4'-P-C4' energy: -47.340 flat angles P-C4'-P energy: -41.289 tors. eta vs tors. theta energy: 6.629 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: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1174.801539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.801539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.801539 (E_RNA) where: Base-Base interactions energy: -783.009 where: short stacking energy: -360.764 Base-Backbone interact. energy: -0.781 local terms energy: -391.011896 where: bonds (distance) C4'-P energy: -72.939 bonds (distance) P-C4' energy: -69.791 flat angles C4'-P-C4' energy: -82.096 flat angles P-C4'-P energy: -56.590 tors. eta vs tors. theta energy: -109.596 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: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1155.085869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.085869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.085869 (E_RNA) where: Base-Base interactions energy: -790.200 where: short stacking energy: -367.514 Base-Backbone interact. energy: -1.057 local terms energy: -363.828591 where: bonds (distance) C4'-P energy: -68.362 bonds (distance) P-C4' energy: -62.665 flat angles C4'-P-C4' energy: -77.919 flat angles P-C4'-P energy: -47.806 tors. eta vs tors. theta energy: -107.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1074.491862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.491862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.491862 (E_RNA) where: Base-Base interactions energy: -713.908 where: short stacking energy: -337.895 Base-Backbone interact. energy: -2.218 local terms energy: -358.365744 where: bonds (distance) C4'-P energy: -69.236 bonds (distance) P-C4' energy: -62.414 flat angles C4'-P-C4' energy: -78.337 flat angles P-C4'-P energy: -45.813 tors. eta vs tors. theta energy: -102.566 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: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -934.303020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.303020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.303020 (E_RNA) where: Base-Base interactions energy: -605.807 where: short stacking energy: -288.109 Base-Backbone interact. energy: -0.956 local terms energy: -327.540312 where: bonds (distance) C4'-P energy: -59.215 bonds (distance) P-C4' energy: -66.636 flat angles C4'-P-C4' energy: -77.576 flat angles P-C4'-P energy: -48.516 tors. eta vs tors. theta energy: -75.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -873.781411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.781411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.781411 (E_RNA) where: Base-Base interactions energy: -564.918 where: short stacking energy: -262.767 Base-Backbone interact. energy: -0.825 local terms energy: -308.038626 where: bonds (distance) C4'-P energy: -58.055 bonds (distance) P-C4' energy: -65.980 flat angles C4'-P-C4' energy: -72.617 flat angles P-C4'-P energy: -44.591 tors. eta vs tors. theta energy: -66.796 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: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -881.156041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.156041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.156041 (E_RNA) where: Base-Base interactions energy: -572.806 where: short stacking energy: -270.318 Base-Backbone interact. energy: -1.296 local terms energy: -307.053646 where: bonds (distance) C4'-P energy: -64.946 bonds (distance) P-C4' energy: -60.942 flat angles C4'-P-C4' energy: -70.646 flat angles P-C4'-P energy: -40.188 tors. eta vs tors. theta energy: -70.332 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: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -799.029684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.029684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.029684 (E_RNA) where: Base-Base interactions energy: -519.966 where: short stacking energy: -228.642 Base-Backbone interact. energy: 1.442 local terms energy: -280.505823 where: bonds (distance) C4'-P energy: -57.905 bonds (distance) P-C4' energy: -61.863 flat angles C4'-P-C4' energy: -70.981 flat angles P-C4'-P energy: -35.020 tors. eta vs tors. theta energy: -54.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -513.783198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.783198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.783198 (E_RNA) where: Base-Base interactions energy: -269.092 where: short stacking energy: -156.967 Base-Backbone interact. energy: 0.268 local terms energy: -244.959731 where: bonds (distance) C4'-P energy: -65.752 bonds (distance) P-C4' energy: -60.977 flat angles C4'-P-C4' energy: -57.781 flat angles P-C4'-P energy: -42.933 tors. eta vs tors. theta energy: -17.516 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: 183 Temperature: 1.300000 Total energy: -337.983320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.983320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.983320 (E_RNA) where: Base-Base interactions energy: -147.148 where: short stacking energy: -99.793 Base-Backbone interact. energy: -0.751 local terms energy: -190.085053 where: bonds (distance) C4'-P energy: -57.829 bonds (distance) P-C4' energy: -68.637 flat angles C4'-P-C4' energy: -39.928 flat angles P-C4'-P energy: -26.847 tors. eta vs tors. theta energy: 3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -299.393787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.393787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.393787 (E_RNA) where: Base-Base interactions energy: -111.246 where: short stacking energy: -94.198 Base-Backbone interact. energy: 2.242 local terms energy: -190.389794 where: bonds (distance) C4'-P energy: -64.084 bonds (distance) P-C4' energy: -53.734 flat angles C4'-P-C4' energy: -40.597 flat angles P-C4'-P energy: -30.090 tors. eta vs tors. theta energy: -1.885 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: 184 Temperature: 0.900000 Total energy: -1156.541030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.541030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.541030 (E_RNA) where: Base-Base interactions energy: -783.545 where: short stacking energy: -344.536 Base-Backbone interact. energy: -2.206 local terms energy: -370.789967 where: bonds (distance) C4'-P energy: -71.716 bonds (distance) P-C4' energy: -73.613 flat angles C4'-P-C4' energy: -67.906 flat angles P-C4'-P energy: -54.551 tors. eta vs tors. theta energy: -103.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1132.259511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.259511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.259511 (E_RNA) where: Base-Base interactions energy: -773.328 where: short stacking energy: -375.081 Base-Backbone interact. energy: -1.011 local terms energy: -357.920433 where: bonds (distance) C4'-P energy: -62.364 bonds (distance) P-C4' energy: -64.583 flat angles C4'-P-C4' energy: -70.968 flat angles P-C4'-P energy: -51.299 tors. eta vs tors. theta energy: -108.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1080.950996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.950996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.950996 (E_RNA) where: Base-Base interactions energy: -706.981 where: short stacking energy: -346.056 Base-Backbone interact. energy: -2.241 local terms energy: -371.728980 where: bonds (distance) C4'-P energy: -68.897 bonds (distance) P-C4' energy: -66.955 flat angles C4'-P-C4' energy: -84.170 flat angles P-C4'-P energy: -51.929 tors. eta vs tors. theta energy: -99.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -897.683540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.683540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.683540 (E_RNA) where: Base-Base interactions energy: -586.489 where: short stacking energy: -275.512 Base-Backbone interact. energy: -0.320 local terms energy: -310.874426 where: bonds (distance) C4'-P energy: -54.570 bonds (distance) P-C4' energy: -65.297 flat angles C4'-P-C4' energy: -61.677 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: -74.659 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: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -912.848908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.848908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.848908 (E_RNA) where: Base-Base interactions energy: -604.252 where: short stacking energy: -286.760 Base-Backbone interact. energy: -1.440 local terms energy: -307.157259 where: bonds (distance) C4'-P energy: -61.011 bonds (distance) P-C4' energy: -63.611 flat angles C4'-P-C4' energy: -67.429 flat angles P-C4'-P energy: -46.302 tors. eta vs tors. theta energy: -68.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -829.958206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.958206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.958206 (E_RNA) where: Base-Base interactions energy: -536.088 where: short stacking energy: -255.398 Base-Backbone interact. energy: 1.308 local terms energy: -295.178400 where: bonds (distance) C4'-P energy: -63.323 bonds (distance) P-C4' energy: -56.436 flat angles C4'-P-C4' energy: -71.877 flat angles P-C4'-P energy: -37.111 tors. eta vs tors. theta energy: -66.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -805.922080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.922080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.922080 (E_RNA) where: Base-Base interactions energy: -516.871 where: short stacking energy: -246.217 Base-Backbone interact. energy: -1.454 local terms energy: -287.596925 where: bonds (distance) C4'-P energy: -62.078 bonds (distance) P-C4' energy: -61.749 flat angles C4'-P-C4' energy: -59.766 flat angles P-C4'-P energy: -41.159 tors. eta vs tors. theta energy: -62.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -485.137571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.137571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.137571 (E_RNA) where: Base-Base interactions energy: -268.250 where: short stacking energy: -139.835 Base-Backbone interact. energy: 3.314 local terms energy: -220.202190 where: bonds (distance) C4'-P energy: -45.613 bonds (distance) P-C4' energy: -63.954 flat angles C4'-P-C4' energy: -62.895 flat angles P-C4'-P energy: -36.330 tors. eta vs tors. theta energy: -11.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -319.449185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.449185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.449185 (E_RNA) where: Base-Base interactions energy: -110.786 where: short stacking energy: -81.370 Base-Backbone interact. energy: -0.951 local terms energy: -207.712071 where: bonds (distance) C4'-P energy: -65.965 bonds (distance) P-C4' energy: -62.968 flat angles C4'-P-C4' energy: -41.034 flat angles P-C4'-P energy: -32.311 tors. eta vs tors. theta energy: -5.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -292.341607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.341607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.341607 (E_RNA) where: Base-Base interactions energy: -106.833 where: short stacking energy: -85.991 Base-Backbone interact. energy: 4.617 local terms energy: -190.125560 where: bonds (distance) C4'-P energy: -60.493 bonds (distance) P-C4' energy: -51.767 flat angles C4'-P-C4' energy: -49.962 flat angles P-C4'-P energy: -32.317 tors. eta vs tors. theta energy: 4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1155.773752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.773752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.773752 (E_RNA) where: Base-Base interactions energy: -784.622 where: short stacking energy: -343.724 Base-Backbone interact. energy: 1.372 local terms energy: -372.523474 where: bonds (distance) C4'-P energy: -74.870 bonds (distance) P-C4' energy: -73.069 flat angles C4'-P-C4' energy: -73.136 flat angles P-C4'-P energy: -51.988 tors. eta vs tors. theta energy: -99.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1138.329942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.329942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.329942 (E_RNA) where: Base-Base interactions energy: -780.744 where: short stacking energy: -370.249 Base-Backbone interact. energy: 1.029 local terms energy: -358.615433 where: bonds (distance) C4'-P energy: -60.965 bonds (distance) P-C4' energy: -71.484 flat angles C4'-P-C4' energy: -74.749 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: -108.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1066.474728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.474728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.474728 (E_RNA) where: Base-Base interactions energy: -718.825 where: short stacking energy: -333.216 Base-Backbone interact. energy: -0.027 local terms energy: -347.622320 where: bonds (distance) C4'-P energy: -63.971 bonds (distance) P-C4' energy: -65.462 flat angles C4'-P-C4' energy: -76.257 flat angles P-C4'-P energy: -44.294 tors. eta vs tors. theta energy: -97.638 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: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -954.582016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.582016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.582016 (E_RNA) where: Base-Base interactions energy: -644.154 where: short stacking energy: -287.516 Base-Backbone interact. energy: -0.835 local terms energy: -309.592877 where: bonds (distance) C4'-P energy: -55.840 bonds (distance) P-C4' energy: -72.458 flat angles C4'-P-C4' energy: -64.708 flat angles P-C4'-P energy: -42.473 tors. eta vs tors. theta energy: -74.115 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: 8 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -904.255542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.255542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.255542 (E_RNA) where: Base-Base interactions energy: -595.516 where: short stacking energy: -289.016 Base-Backbone interact. energy: 1.212 local terms energy: -309.952154 where: bonds (distance) C4'-P energy: -59.182 bonds (distance) P-C4' energy: -58.600 flat angles C4'-P-C4' energy: -70.526 flat angles P-C4'-P energy: -41.554 tors. eta vs tors. theta energy: -80.090 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: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -833.557356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.557356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.557356 (E_RNA) where: Base-Base interactions energy: -535.138 where: short stacking energy: -248.404 Base-Backbone interact. energy: -0.777 local terms energy: -297.642704 where: bonds (distance) C4'-P energy: -63.189 bonds (distance) P-C4' energy: -58.960 flat angles C4'-P-C4' energy: -64.611 flat angles P-C4'-P energy: -49.072 tors. eta vs tors. theta energy: -61.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -824.783893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.783893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.783893 (E_RNA) where: Base-Base interactions energy: -521.040 where: short stacking energy: -232.977 Base-Backbone interact. energy: 0.995 local terms energy: -304.738773 where: bonds (distance) C4'-P energy: -62.616 bonds (distance) P-C4' energy: -70.441 flat angles C4'-P-C4' energy: -69.361 flat angles P-C4'-P energy: -46.321 tors. eta vs tors. theta energy: -56.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -554.112925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.112925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.112925 (E_RNA) where: Base-Base interactions energy: -335.911 where: short stacking energy: -165.664 Base-Backbone interact. energy: 1.085 local terms energy: -219.286118 where: bonds (distance) C4'-P energy: -55.827 bonds (distance) P-C4' energy: -62.308 flat angles C4'-P-C4' energy: -49.176 flat angles P-C4'-P energy: -31.631 tors. eta vs tors. theta energy: -20.345 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: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -323.177249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.177249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.177249 (E_RNA) where: Base-Base interactions energy: -124.419 where: short stacking energy: -90.931 Base-Backbone interact. energy: 2.861 local terms energy: -201.619451 where: bonds (distance) C4'-P energy: -69.315 bonds (distance) P-C4' energy: -67.803 flat angles C4'-P-C4' energy: -49.332 flat angles P-C4'-P energy: -32.689 tors. eta vs tors. theta energy: 17.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -320.218339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.218339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.218339 (E_RNA) where: Base-Base interactions energy: -134.147 where: short stacking energy: -87.893 Base-Backbone interact. energy: -0.289 local terms energy: -185.782871 where: bonds (distance) C4'-P energy: -59.262 bonds (distance) P-C4' energy: -49.613 flat angles C4'-P-C4' energy: -59.024 flat angles P-C4'-P energy: -30.350 tors. eta vs tors. theta energy: 12.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1160.310072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.310072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.310072 (E_RNA) where: Base-Base interactions energy: -789.143 where: short stacking energy: -372.310 Base-Backbone interact. energy: 0.753 local terms energy: -371.920457 where: bonds (distance) C4'-P energy: -71.023 bonds (distance) P-C4' energy: -69.334 flat angles C4'-P-C4' energy: -78.857 flat angles P-C4'-P energy: -41.865 tors. eta vs tors. theta energy: -110.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1165.505366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.505366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.505366 (E_RNA) where: Base-Base interactions energy: -794.684 where: short stacking energy: -367.015 Base-Backbone interact. energy: -0.221 local terms energy: -370.600211 where: bonds (distance) C4'-P energy: -60.242 bonds (distance) P-C4' energy: -70.012 flat angles C4'-P-C4' energy: -79.278 flat angles P-C4'-P energy: -49.049 tors. eta vs tors. theta energy: -112.020 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: 186 Temperature: 1.000000 Total energy: -1027.564788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.564788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.564788 (E_RNA) where: Base-Base interactions energy: -664.179 where: short stacking energy: -312.915 Base-Backbone interact. energy: -0.918 local terms energy: -362.467065 where: bonds (distance) C4'-P energy: -66.192 bonds (distance) P-C4' energy: -71.076 flat angles C4'-P-C4' energy: -75.618 flat angles P-C4'-P energy: -54.574 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: 4, replica: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -966.511708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.511708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.511708 (E_RNA) where: Base-Base interactions energy: -649.610 where: short stacking energy: -306.186 Base-Backbone interact. energy: -0.030 local terms energy: -316.871040 where: bonds (distance) C4'-P energy: -55.146 bonds (distance) P-C4' energy: -66.371 flat angles C4'-P-C4' energy: -72.436 flat angles P-C4'-P energy: -46.440 tors. eta vs tors. theta energy: -76.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -874.878352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.878352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.878352 (E_RNA) where: Base-Base interactions energy: -567.625 where: short stacking energy: -274.211 Base-Backbone interact. energy: -1.090 local terms energy: -306.163384 where: bonds (distance) C4'-P energy: -58.920 bonds (distance) P-C4' energy: -72.180 flat angles C4'-P-C4' energy: -63.925 flat angles P-C4'-P energy: -43.673 tors. eta vs tors. theta energy: -67.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -862.290226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.290226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.290226 (E_RNA) where: Base-Base interactions energy: -568.398 where: short stacking energy: -262.781 Base-Backbone interact. energy: -2.936 local terms energy: -290.956062 where: bonds (distance) C4'-P energy: -58.491 bonds (distance) P-C4' energy: -67.031 flat angles C4'-P-C4' energy: -64.725 flat angles P-C4'-P energy: -36.997 tors. eta vs tors. theta energy: -63.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -815.610060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.610060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.610060 (E_RNA) where: Base-Base interactions energy: -530.036 where: short stacking energy: -239.919 Base-Backbone interact. energy: -2.027 local terms energy: -283.547453 where: bonds (distance) C4'-P energy: -60.629 bonds (distance) P-C4' energy: -61.853 flat angles C4'-P-C4' energy: -62.432 flat angles P-C4'-P energy: -38.336 tors. eta vs tors. theta energy: -60.298 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: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -543.995681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.995681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.995681 (E_RNA) where: Base-Base interactions energy: -303.945 where: short stacking energy: -143.690 Base-Backbone interact. energy: -1.011 local terms energy: -239.038859 where: bonds (distance) C4'-P energy: -65.019 bonds (distance) P-C4' energy: -62.799 flat angles C4'-P-C4' energy: -61.183 flat angles P-C4'-P energy: -32.914 tors. eta vs tors. theta energy: -17.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -372.164998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.164998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.164998 (E_RNA) where: Base-Base interactions energy: -169.407 where: short stacking energy: -121.230 Base-Backbone interact. energy: 1.912 local terms energy: -204.670244 where: bonds (distance) C4'-P energy: -63.385 bonds (distance) P-C4' energy: -58.556 flat angles C4'-P-C4' energy: -43.404 flat angles P-C4'-P energy: -40.367 tors. eta vs tors. theta energy: 1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -286.963929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.963929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.963929 (E_RNA) where: Base-Base interactions energy: -99.114 where: short stacking energy: -87.700 Base-Backbone interact. energy: 9.518 local terms energy: -197.368074 where: bonds (distance) C4'-P energy: -60.868 bonds (distance) P-C4' energy: -57.353 flat angles C4'-P-C4' energy: -48.301 flat angles P-C4'-P energy: -35.430 tors. eta vs tors. theta energy: 4.584 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: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1170.371930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.371930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.371930 (E_RNA) where: Base-Base interactions energy: -785.402 where: short stacking energy: -378.458 Base-Backbone interact. energy: 0.004 local terms energy: -384.974043 where: bonds (distance) C4'-P energy: -68.794 bonds (distance) P-C4' energy: -68.050 flat angles C4'-P-C4' energy: -81.563 flat angles P-C4'-P energy: -57.334 tors. eta vs tors. theta energy: -109.233 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: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1129.083376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.083376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.083376 (E_RNA) where: Base-Base interactions energy: -763.174 where: short stacking energy: -334.758 Base-Backbone interact. energy: 1.065 local terms energy: -366.974512 where: bonds (distance) C4'-P energy: -66.021 bonds (distance) P-C4' energy: -72.049 flat angles C4'-P-C4' energy: -78.591 flat angles P-C4'-P energy: -47.247 tors. eta vs tors. theta energy: -103.067 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: 3, replica: 4 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1012.423480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.423480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.423480 (E_RNA) where: Base-Base interactions energy: -668.236 where: short stacking energy: -298.137 Base-Backbone interact. energy: 1.696 local terms energy: -345.883604 where: bonds (distance) C4'-P energy: -67.010 bonds (distance) P-C4' energy: -61.703 flat angles C4'-P-C4' energy: -70.772 flat angles P-C4'-P energy: -54.682 tors. eta vs tors. theta energy: -91.717 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: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -961.946276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.946276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.946276 (E_RNA) where: Base-Base interactions energy: -655.044 where: short stacking energy: -296.020 Base-Backbone interact. energy: -0.135 local terms energy: -306.767045 where: bonds (distance) C4'-P energy: -64.376 bonds (distance) P-C4' energy: -61.371 flat angles C4'-P-C4' energy: -67.158 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: -76.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -881.781286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.781286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.781286 (E_RNA) where: Base-Base interactions energy: -574.309 where: short stacking energy: -285.786 Base-Backbone interact. energy: -0.587 local terms energy: -306.886194 where: bonds (distance) C4'-P energy: -60.351 bonds (distance) P-C4' energy: -63.047 flat angles C4'-P-C4' energy: -67.869 flat angles P-C4'-P energy: -40.993 tors. eta vs tors. theta energy: -74.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -884.231572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.231572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.231572 (E_RNA) where: Base-Base interactions energy: -587.105 where: short stacking energy: -270.330 Base-Backbone interact. energy: 3.170 local terms energy: -300.297011 where: bonds (distance) C4'-P energy: -54.169 bonds (distance) P-C4' energy: -70.776 flat angles C4'-P-C4' energy: -68.009 flat angles P-C4'-P energy: -44.624 tors. eta vs tors. theta energy: -62.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -809.763437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.763437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.763437 (E_RNA) where: Base-Base interactions energy: -523.488 where: short stacking energy: -244.361 Base-Backbone interact. energy: -0.960 local terms energy: -285.315564 where: bonds (distance) C4'-P energy: -60.622 bonds (distance) P-C4' energy: -65.561 flat angles C4'-P-C4' energy: -54.529 flat angles P-C4'-P energy: -43.113 tors. eta vs tors. theta energy: -61.490 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: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -561.413078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.413078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.413078 (E_RNA) where: Base-Base interactions energy: -329.712 where: short stacking energy: -167.673 Base-Backbone interact. energy: -1.221 local terms energy: -230.480018 where: bonds (distance) C4'-P energy: -48.613 bonds (distance) P-C4' energy: -62.980 flat angles C4'-P-C4' energy: -64.971 flat angles P-C4'-P energy: -28.938 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: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -389.056057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.056057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.056057 (E_RNA) where: Base-Base interactions energy: -191.961 where: short stacking energy: -124.757 Base-Backbone interact. energy: 1.848 local terms energy: -198.943929 where: bonds (distance) C4'-P energy: -47.398 bonds (distance) P-C4' energy: -66.269 flat angles C4'-P-C4' energy: -49.630 flat angles P-C4'-P energy: -20.751 tors. eta vs tors. theta energy: -14.895 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: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -286.822148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.822148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.822148 (E_RNA) where: Base-Base interactions energy: -94.452 where: short stacking energy: -76.650 Base-Backbone interact. energy: -0.679 local terms energy: -191.691341 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -55.438 flat angles C4'-P-C4' energy: -45.867 flat angles P-C4'-P energy: -42.803 tors. eta vs tors. theta energy: 7.986 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: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1162.548695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.548695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.548695 (E_RNA) where: Base-Base interactions energy: -789.359 where: short stacking energy: -361.649 Base-Backbone interact. energy: -2.255 local terms energy: -370.934695 where: bonds (distance) C4'-P energy: -74.263 bonds (distance) P-C4' energy: -59.538 flat angles C4'-P-C4' energy: -70.636 flat angles P-C4'-P energy: -59.266 tors. eta vs tors. theta energy: -107.231 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: 2, replica: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1136.224946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.224946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.224946 (E_RNA) where: Base-Base interactions energy: -762.230 where: short stacking energy: -356.655 Base-Backbone interact. energy: 0.905 local terms energy: -374.899225 where: bonds (distance) C4'-P energy: -60.008 bonds (distance) P-C4' energy: -74.649 flat angles C4'-P-C4' energy: -74.862 flat angles P-C4'-P energy: -57.660 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: 3, replica: 4 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1044.644979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.644979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.644979 (E_RNA) where: Base-Base interactions energy: -674.361 where: short stacking energy: -346.322 Base-Backbone interact. energy: -0.302 local terms energy: -369.982034 where: bonds (distance) C4'-P energy: -73.600 bonds (distance) P-C4' energy: -65.584 flat angles C4'-P-C4' energy: -79.941 flat angles P-C4'-P energy: -47.200 tors. eta vs tors. theta energy: -103.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -972.563606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.563606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.563606 (E_RNA) where: Base-Base interactions energy: -643.532 where: short stacking energy: -299.112 Base-Backbone interact. energy: 1.036 local terms energy: -330.067333 where: bonds (distance) C4'-P energy: -67.549 bonds (distance) P-C4' energy: -57.009 flat angles C4'-P-C4' energy: -66.789 flat angles P-C4'-P energy: -43.958 tors. eta vs tors. theta energy: -94.763 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: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -912.430154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.430154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.430154 (E_RNA) where: Base-Base interactions energy: -582.692 where: short stacking energy: -283.523 Base-Backbone interact. energy: -2.225 local terms energy: -327.513901 where: bonds (distance) C4'-P energy: -59.058 bonds (distance) P-C4' energy: -73.464 flat angles C4'-P-C4' energy: -76.583 flat angles P-C4'-P energy: -44.745 tors. eta vs tors. theta energy: -73.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -880.707036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.707036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.707036 (E_RNA) where: Base-Base interactions energy: -586.755 where: short stacking energy: -276.074 Base-Backbone interact. energy: -0.513 local terms energy: -293.439924 where: bonds (distance) C4'-P energy: -49.001 bonds (distance) P-C4' energy: -64.442 flat angles C4'-P-C4' energy: -64.263 flat angles P-C4'-P energy: -40.373 tors. eta vs tors. theta energy: -75.361 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: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -781.630335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.630335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.630335 (E_RNA) where: Base-Base interactions energy: -524.432 where: short stacking energy: -245.313 Base-Backbone interact. energy: 1.602 local terms energy: -258.800759 where: bonds (distance) C4'-P energy: -44.691 bonds (distance) P-C4' energy: -65.234 flat angles C4'-P-C4' energy: -61.722 flat angles P-C4'-P energy: -27.822 tors. eta vs tors. theta energy: -59.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -579.680201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.680201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.680201 (E_RNA) where: Base-Base interactions energy: -360.045 where: short stacking energy: -167.802 Base-Backbone interact. energy: -1.446 local terms energy: -218.189265 where: bonds (distance) C4'-P energy: -50.806 bonds (distance) P-C4' energy: -48.649 flat angles C4'-P-C4' energy: -54.539 flat angles P-C4'-P energy: -39.091 tors. eta vs tors. theta energy: -25.104 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: 188 Temperature: 1.300000 Total energy: -367.409583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.409583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.409583 (E_RNA) where: Base-Base interactions energy: -178.598 where: short stacking energy: -101.096 Base-Backbone interact. energy: 1.568 local terms energy: -190.380003 where: bonds (distance) C4'-P energy: -56.157 bonds (distance) P-C4' energy: -58.187 flat angles C4'-P-C4' energy: -57.665 flat angles P-C4'-P energy: -34.420 tors. eta vs tors. theta energy: 16.048 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: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -300.306609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.306609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.306609 (E_RNA) where: Base-Base interactions energy: -94.717 where: short stacking energy: -87.442 Base-Backbone interact. energy: -1.766 local terms energy: -203.823748 where: bonds (distance) C4'-P energy: -61.704 bonds (distance) P-C4' energy: -53.167 flat angles C4'-P-C4' energy: -56.410 flat angles P-C4'-P energy: -30.022 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1169.857797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.857797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.857797 (E_RNA) where: Base-Base interactions energy: -796.572 where: short stacking energy: -363.636 Base-Backbone interact. energy: -0.419 local terms energy: -372.867575 where: bonds (distance) C4'-P energy: -73.235 bonds (distance) P-C4' energy: -71.011 flat angles C4'-P-C4' energy: -74.141 flat angles P-C4'-P energy: -58.085 tors. eta vs tors. theta energy: -96.395 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: 189 Temperature: 0.950000 Total energy: -1119.666759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.666759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.666759 (E_RNA) where: Base-Base interactions energy: -756.411 where: short stacking energy: -354.453 Base-Backbone interact. energy: -0.855 local terms energy: -362.400644 where: bonds (distance) C4'-P energy: -65.011 bonds (distance) P-C4' energy: -70.375 flat angles C4'-P-C4' energy: -67.174 flat angles P-C4'-P energy: -52.172 tors. eta vs tors. theta energy: -107.669 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: 3, replica: 4 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1041.292729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.292729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.292729 (E_RNA) where: Base-Base interactions energy: -691.332 where: short stacking energy: -318.646 Base-Backbone interact. energy: -0.776 local terms energy: -349.184803 where: bonds (distance) C4'-P energy: -57.780 bonds (distance) P-C4' energy: -65.810 flat angles C4'-P-C4' energy: -85.010 flat angles P-C4'-P energy: -55.125 tors. eta vs tors. theta energy: -85.460 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: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -978.830479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.830479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.830479 (E_RNA) where: Base-Base interactions energy: -654.690 where: short stacking energy: -295.289 Base-Backbone interact. energy: 0.164 local terms energy: -324.304023 where: bonds (distance) C4'-P energy: -67.181 bonds (distance) P-C4' energy: -59.926 flat angles C4'-P-C4' energy: -76.238 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: -78.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -859.485270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.485270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.485270 (E_RNA) where: Base-Base interactions energy: -588.959 where: short stacking energy: -268.162 Base-Backbone interact. energy: 0.787 local terms energy: -271.312742 where: bonds (distance) C4'-P energy: -55.733 bonds (distance) P-C4' energy: -60.459 flat angles C4'-P-C4' energy: -67.036 flat angles P-C4'-P energy: -29.383 tors. eta vs tors. theta energy: -58.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -866.319224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.319224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.319224 (E_RNA) where: Base-Base interactions energy: -554.930 where: short stacking energy: -270.534 Base-Backbone interact. energy: -0.828 local terms energy: -310.560884 where: bonds (distance) C4'-P energy: -67.244 bonds (distance) P-C4' energy: -56.530 flat angles C4'-P-C4' energy: -64.218 flat angles P-C4'-P energy: -50.141 tors. eta vs tors. theta energy: -72.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -842.267478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.267478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.267478 (E_RNA) where: Base-Base interactions energy: -551.916 where: short stacking energy: -256.364 Base-Backbone interact. energy: -1.084 local terms energy: -289.267216 where: bonds (distance) C4'-P energy: -62.954 bonds (distance) P-C4' energy: -57.223 flat angles C4'-P-C4' energy: -64.298 flat angles P-C4'-P energy: -38.647 tors. eta vs tors. theta energy: -66.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -596.137496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.137496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.137496 (E_RNA) where: Base-Base interactions energy: -345.566 where: short stacking energy: -156.436 Base-Backbone interact. energy: -1.965 local terms energy: -248.606628 where: bonds (distance) C4'-P energy: -60.735 bonds (distance) P-C4' energy: -67.305 flat angles C4'-P-C4' energy: -54.796 flat angles P-C4'-P energy: -35.785 tors. eta vs tors. theta energy: -29.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -399.103265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.103265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.103265 (E_RNA) where: Base-Base interactions energy: -199.604 where: short stacking energy: -112.356 Base-Backbone interact. energy: 0.986 local terms energy: -200.484815 where: bonds (distance) C4'-P energy: -53.080 bonds (distance) P-C4' energy: -63.090 flat angles C4'-P-C4' energy: -52.025 flat angles P-C4'-P energy: -25.956 tors. eta vs tors. theta energy: -6.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -267.858651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.858651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.858651 (E_RNA) where: Base-Base interactions energy: -69.751 where: short stacking energy: -50.696 Base-Backbone interact. energy: 2.242 local terms energy: -200.349742 where: bonds (distance) C4'-P energy: -65.798 bonds (distance) P-C4' energy: -70.604 flat angles C4'-P-C4' energy: -48.814 flat angles P-C4'-P energy: -38.458 tors. eta vs tors. theta energy: 23.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1122.345236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.345236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.345236 (E_RNA) where: Base-Base interactions energy: -736.924 where: short stacking energy: -343.061 Base-Backbone interact. energy: -0.676 local terms energy: -384.745194 where: bonds (distance) C4'-P energy: -72.549 bonds (distance) P-C4' energy: -71.423 flat angles C4'-P-C4' energy: -79.268 flat angles P-C4'-P energy: -58.309 tors. eta vs tors. theta energy: -103.196 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: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1117.625327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.625327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.625327 (E_RNA) where: Base-Base interactions energy: -757.204 where: short stacking energy: -342.780 Base-Backbone interact. energy: -0.699 local terms energy: -359.723128 where: bonds (distance) C4'-P energy: -68.860 bonds (distance) P-C4' energy: -63.443 flat angles C4'-P-C4' energy: -75.866 flat angles P-C4'-P energy: -52.179 tors. eta vs tors. theta energy: -99.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1047.538334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.538334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.538334 (E_RNA) where: Base-Base interactions energy: -690.129 where: short stacking energy: -341.360 Base-Backbone interact. energy: -0.321 local terms energy: -357.088251 where: bonds (distance) C4'-P energy: -72.545 bonds (distance) P-C4' energy: -68.322 flat angles C4'-P-C4' energy: -77.190 flat angles P-C4'-P energy: -41.777 tors. eta vs tors. theta energy: -97.254 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: 4, replica: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -967.487642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.487642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.487642 (E_RNA) where: Base-Base interactions energy: -653.052 where: short stacking energy: -289.821 Base-Backbone interact. energy: -0.832 local terms energy: -313.604376 where: bonds (distance) C4'-P energy: -66.167 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -63.887 flat angles P-C4'-P energy: -48.019 tors. eta vs tors. theta energy: -72.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -882.418192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.418192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.418192 (E_RNA) where: Base-Base interactions energy: -583.948 where: short stacking energy: -271.958 Base-Backbone interact. energy: -0.637 local terms energy: -297.833962 where: bonds (distance) C4'-P energy: -55.711 bonds (distance) P-C4' energy: -70.967 flat angles C4'-P-C4' energy: -66.682 flat angles P-C4'-P energy: -37.540 tors. eta vs tors. theta energy: -66.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -841.679650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.679650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.679650 (E_RNA) where: Base-Base interactions energy: -538.955 where: short stacking energy: -240.275 Base-Backbone interact. energy: 6.152 local terms energy: -308.876592 where: bonds (distance) C4'-P energy: -56.216 bonds (distance) P-C4' energy: -61.884 flat angles C4'-P-C4' energy: -78.867 flat angles P-C4'-P energy: -46.801 tors. eta vs tors. theta energy: -65.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -826.906720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.906720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.906720 (E_RNA) where: Base-Base interactions energy: -543.827 where: short stacking energy: -251.097 Base-Backbone interact. energy: -0.714 local terms energy: -282.365923 where: bonds (distance) C4'-P energy: -54.266 bonds (distance) P-C4' energy: -62.252 flat angles C4'-P-C4' energy: -63.068 flat angles P-C4'-P energy: -36.548 tors. eta vs tors. theta energy: -66.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -595.185247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.185247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.185247 (E_RNA) where: Base-Base interactions energy: -366.463 where: short stacking energy: -170.327 Base-Backbone interact. energy: 2.786 local terms energy: -231.507772 where: bonds (distance) C4'-P energy: -45.646 bonds (distance) P-C4' energy: -56.668 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -31.328 tors. eta vs tors. theta energy: -33.738 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: 190 Temperature: 1.300000 Total energy: -460.718626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.718626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.718626 (E_RNA) where: Base-Base interactions energy: -263.485 where: short stacking energy: -139.336 Base-Backbone interact. energy: 3.396 local terms energy: -200.630439 where: bonds (distance) C4'-P energy: -55.769 bonds (distance) P-C4' energy: -54.958 flat angles C4'-P-C4' energy: -43.709 flat angles P-C4'-P energy: -37.374 tors. eta vs tors. theta energy: -8.820 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: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -307.053744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.053744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.053744 (E_RNA) where: Base-Base interactions energy: -144.143 where: short stacking energy: -104.189 Base-Backbone interact. energy: -1.038 local terms energy: -161.872379 where: bonds (distance) C4'-P energy: -36.981 bonds (distance) P-C4' energy: -53.216 flat angles C4'-P-C4' energy: -43.955 flat angles P-C4'-P energy: -24.778 tors. eta vs tors. theta energy: -2.942 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: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1144.185736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.185736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.185736 (E_RNA) where: Base-Base interactions energy: -758.430 where: short stacking energy: -362.685 Base-Backbone interact. energy: -0.649 local terms energy: -385.106904 where: bonds (distance) C4'-P energy: -71.286 bonds (distance) P-C4' energy: -73.039 flat angles C4'-P-C4' energy: -78.909 flat angles P-C4'-P energy: -56.666 tors. eta vs tors. theta energy: -105.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1147.425018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.425018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.425018 (E_RNA) where: Base-Base interactions energy: -759.222 where: short stacking energy: -356.094 Base-Backbone interact. energy: -0.122 local terms energy: -388.080909 where: bonds (distance) C4'-P energy: -64.691 bonds (distance) P-C4' energy: -78.558 flat angles C4'-P-C4' energy: -77.378 flat angles P-C4'-P energy: -55.783 tors. eta vs tors. theta energy: -111.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1035.121689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.121689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.121689 (E_RNA) where: Base-Base interactions energy: -682.160 where: short stacking energy: -323.660 Base-Backbone interact. energy: -0.239 local terms energy: -352.722397 where: bonds (distance) C4'-P energy: -68.679 bonds (distance) P-C4' energy: -70.083 flat angles C4'-P-C4' energy: -78.919 flat angles P-C4'-P energy: -45.827 tors. eta vs tors. theta energy: -89.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -965.179367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.179367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.179367 (E_RNA) where: Base-Base interactions energy: -650.318 where: short stacking energy: -296.889 Base-Backbone interact. energy: 3.227 local terms energy: -318.089146 where: bonds (distance) C4'-P energy: -67.866 bonds (distance) P-C4' energy: -59.434 flat angles C4'-P-C4' energy: -59.127 flat angles P-C4'-P energy: -51.502 tors. eta vs tors. theta energy: -80.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -871.333695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.333695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.333695 (E_RNA) where: Base-Base interactions energy: -575.514 where: short stacking energy: -265.101 Base-Backbone interact. energy: -0.406 local terms energy: -295.414216 where: bonds (distance) C4'-P energy: -59.959 bonds (distance) P-C4' energy: -59.461 flat angles C4'-P-C4' energy: -62.370 flat angles P-C4'-P energy: -46.615 tors. eta vs tors. theta energy: -67.008 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: 191 Temperature: 1.150000 Total energy: -828.067431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.067431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.067431 (E_RNA) where: Base-Base interactions energy: -525.428 where: short stacking energy: -259.569 Base-Backbone interact. energy: -0.453 local terms energy: -302.186674 where: bonds (distance) C4'-P energy: -55.737 bonds (distance) P-C4' energy: -65.310 flat angles C4'-P-C4' energy: -66.290 flat angles P-C4'-P energy: -44.518 tors. eta vs tors. theta energy: -70.332 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: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -843.473759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.473759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.473759 (E_RNA) where: Base-Base interactions energy: -546.798 where: short stacking energy: -249.734 Base-Backbone interact. energy: -0.702 local terms energy: -295.973400 where: bonds (distance) C4'-P energy: -64.957 bonds (distance) P-C4' energy: -63.020 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -34.339 tors. eta vs tors. theta energy: -72.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -544.472837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.472837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.472837 (E_RNA) where: Base-Base interactions energy: -313.802 where: short stacking energy: -176.167 Base-Backbone interact. energy: -0.371 local terms energy: -230.300332 where: bonds (distance) C4'-P energy: -49.049 bonds (distance) P-C4' energy: -58.464 flat angles C4'-P-C4' energy: -62.469 flat angles P-C4'-P energy: -28.683 tors. eta vs tors. theta energy: -31.635 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: 191 Temperature: 1.300000 Total energy: -434.807268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.807268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.807268 (E_RNA) where: Base-Base interactions energy: -228.414 where: short stacking energy: -134.341 Base-Backbone interact. energy: -0.868 local terms energy: -205.525343 where: bonds (distance) C4'-P energy: -69.548 bonds (distance) P-C4' energy: -48.554 flat angles C4'-P-C4' energy: -57.926 flat angles P-C4'-P energy: -32.144 tors. eta vs tors. theta energy: 2.647 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: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -309.586406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.586406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.586406 (E_RNA) where: Base-Base interactions energy: -145.842 where: short stacking energy: -86.492 Base-Backbone interact. energy: -1.038 local terms energy: -162.705885 where: bonds (distance) C4'-P energy: -56.888 bonds (distance) P-C4' energy: -49.019 flat angles C4'-P-C4' energy: -49.971 flat angles P-C4'-P energy: -28.645 tors. eta vs tors. theta energy: 21.817 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: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1167.668419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.668419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.668419 (E_RNA) where: Base-Base interactions energy: -778.189 where: short stacking energy: -367.807 Base-Backbone interact. energy: -0.927 local terms energy: -388.552153 where: bonds (distance) C4'-P energy: -74.382 bonds (distance) P-C4' energy: -73.768 flat angles C4'-P-C4' energy: -77.286 flat angles P-C4'-P energy: -53.953 tors. eta vs tors. theta energy: -109.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1137.531269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.531269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.531269 (E_RNA) where: Base-Base interactions energy: -756.222 where: short stacking energy: -353.879 Base-Backbone interact. energy: 0.525 local terms energy: -381.834046 where: bonds (distance) C4'-P energy: -67.902 bonds (distance) P-C4' energy: -78.919 flat angles C4'-P-C4' energy: -80.357 flat angles P-C4'-P energy: -48.811 tors. eta vs tors. theta energy: -105.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1018.583450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.583450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.583450 (E_RNA) where: Base-Base interactions energy: -678.012 where: short stacking energy: -322.924 Base-Backbone interact. energy: -0.203 local terms energy: -340.369047 where: bonds (distance) C4'-P energy: -66.285 bonds (distance) P-C4' energy: -71.856 flat angles C4'-P-C4' energy: -68.184 flat angles P-C4'-P energy: -49.362 tors. eta vs tors. theta energy: -84.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1005.105261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.105261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.105261 (E_RNA) where: Base-Base interactions energy: -680.281 where: short stacking energy: -317.585 Base-Backbone interact. energy: -0.064 local terms energy: -324.759796 where: bonds (distance) C4'-P energy: -62.951 bonds (distance) P-C4' energy: -65.892 flat angles C4'-P-C4' energy: -66.237 flat angles P-C4'-P energy: -51.292 tors. eta vs tors. theta energy: -78.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -891.739580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.739580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.739580 (E_RNA) where: Base-Base interactions energy: -592.760 where: short stacking energy: -268.993 Base-Backbone interact. energy: 1.912 local terms energy: -300.891151 where: bonds (distance) C4'-P energy: -58.540 bonds (distance) P-C4' energy: -57.853 flat angles C4'-P-C4' energy: -58.877 flat angles P-C4'-P energy: -46.571 tors. eta vs tors. theta energy: -79.050 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: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -860.244623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.244623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.244623 (E_RNA) where: Base-Base interactions energy: -563.149 where: short stacking energy: -272.031 Base-Backbone interact. energy: 2.988 local terms energy: -300.083560 where: bonds (distance) C4'-P energy: -74.306 bonds (distance) P-C4' energy: -43.007 flat angles C4'-P-C4' energy: -66.461 flat angles P-C4'-P energy: -42.762 tors. eta vs tors. theta energy: -73.548 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: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -824.184476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.184476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.184476 (E_RNA) where: Base-Base interactions energy: -548.042 where: short stacking energy: -240.110 Base-Backbone interact. energy: -2.327 local terms energy: -273.815639 where: bonds (distance) C4'-P energy: -50.434 bonds (distance) P-C4' energy: -51.536 flat angles C4'-P-C4' energy: -60.774 flat angles P-C4'-P energy: -49.297 tors. eta vs tors. theta energy: -61.775 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: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -548.120117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.120117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.120117 (E_RNA) where: Base-Base interactions energy: -284.676 where: short stacking energy: -159.311 Base-Backbone interact. energy: -0.156 local terms energy: -263.287912 where: bonds (distance) C4'-P energy: -70.746 bonds (distance) P-C4' energy: -53.982 flat angles C4'-P-C4' energy: -58.238 flat angles P-C4'-P energy: -40.022 tors. eta vs tors. theta energy: -40.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -420.163893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.163893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.163893 (E_RNA) where: Base-Base interactions energy: -208.067 where: short stacking energy: -135.596 Base-Backbone interact. energy: -0.041 local terms energy: -212.055739 where: bonds (distance) C4'-P energy: -44.116 bonds (distance) P-C4' energy: -61.299 flat angles C4'-P-C4' energy: -50.565 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -14.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -410.124114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.124114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.124114 (E_RNA) where: Base-Base interactions energy: -239.546 where: short stacking energy: -123.829 Base-Backbone interact. energy: 0.895 local terms energy: -171.472464 where: bonds (distance) C4'-P energy: -50.755 bonds (distance) P-C4' energy: -60.515 flat angles C4'-P-C4' energy: -40.319 flat angles P-C4'-P energy: -23.713 tors. eta vs tors. theta energy: 3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1164.836403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.836403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.836403 (E_RNA) where: Base-Base interactions energy: -778.897 where: short stacking energy: -375.635 Base-Backbone interact. energy: 1.403 local terms energy: -387.342025 where: bonds (distance) C4'-P energy: -67.423 bonds (distance) P-C4' energy: -70.278 flat angles C4'-P-C4' energy: -81.108 flat angles P-C4'-P energy: -52.536 tors. eta vs tors. theta energy: -115.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1102.271167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.271167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.271167 (E_RNA) where: Base-Base interactions energy: -729.123 where: short stacking energy: -337.200 Base-Backbone interact. energy: -2.330 local terms energy: -370.817522 where: bonds (distance) C4'-P energy: -73.945 bonds (distance) P-C4' energy: -65.954 flat angles C4'-P-C4' energy: -77.746 flat angles P-C4'-P energy: -54.654 tors. eta vs tors. theta energy: -98.519 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: 4 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1057.995003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.995003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.995003 (E_RNA) where: Base-Base interactions energy: -703.401 where: short stacking energy: -331.346 Base-Backbone interact. energy: -0.374 local terms energy: -354.219785 where: bonds (distance) C4'-P energy: -70.032 bonds (distance) P-C4' energy: -58.479 flat angles C4'-P-C4' energy: -79.235 flat angles P-C4'-P energy: -46.263 tors. eta vs tors. theta energy: -100.211 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: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -969.540728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.540728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.540728 (E_RNA) where: Base-Base interactions energy: -651.504 where: short stacking energy: -301.326 Base-Backbone interact. energy: -0.798 local terms energy: -317.239326 where: bonds (distance) C4'-P energy: -61.692 bonds (distance) P-C4' energy: -62.164 flat angles C4'-P-C4' energy: -70.656 flat angles P-C4'-P energy: -42.950 tors. eta vs tors. theta energy: -79.778 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: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -910.913314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.913314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.913314 (E_RNA) where: Base-Base interactions energy: -615.690 where: short stacking energy: -273.165 Base-Backbone interact. energy: 1.117 local terms energy: -296.340143 where: bonds (distance) C4'-P energy: -63.788 bonds (distance) P-C4' energy: -63.235 flat angles C4'-P-C4' energy: -57.193 flat angles P-C4'-P energy: -42.141 tors. eta vs tors. theta energy: -69.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -847.458597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.458597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.458597 (E_RNA) where: Base-Base interactions energy: -556.175 where: short stacking energy: -273.351 Base-Backbone interact. energy: 7.537 local terms energy: -298.820346 where: bonds (distance) C4'-P energy: -69.700 bonds (distance) P-C4' energy: -56.469 flat angles C4'-P-C4' energy: -75.944 flat angles P-C4'-P energy: -32.660 tors. eta vs tors. theta energy: -64.046 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: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -815.003194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.003194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.003194 (E_RNA) where: Base-Base interactions energy: -521.890 where: short stacking energy: -239.730 Base-Backbone interact. energy: -1.039 local terms energy: -292.074698 where: bonds (distance) C4'-P energy: -55.593 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -72.252 flat angles P-C4'-P energy: -49.056 tors. eta vs tors. theta energy: -55.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -547.786503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.786503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.786503 (E_RNA) where: Base-Base interactions energy: -318.804 where: short stacking energy: -145.224 Base-Backbone interact. energy: -1.335 local terms energy: -227.647984 where: bonds (distance) C4'-P energy: -61.777 bonds (distance) P-C4' energy: -53.956 flat angles C4'-P-C4' energy: -54.719 flat angles P-C4'-P energy: -33.095 tors. eta vs tors. theta energy: -24.101 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: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -392.169276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.169276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.169276 (E_RNA) where: Base-Base interactions energy: -216.970 where: short stacking energy: -107.920 Base-Backbone interact. energy: 0.322 local terms energy: -175.521373 where: bonds (distance) C4'-P energy: -42.282 bonds (distance) P-C4' energy: -67.705 flat angles C4'-P-C4' energy: -35.358 flat angles P-C4'-P energy: -27.543 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -387.801800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.801800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.801800 (E_RNA) where: Base-Base interactions energy: -192.874 where: short stacking energy: -119.503 Base-Backbone interact. energy: 0.606 local terms energy: -195.533489 where: bonds (distance) C4'-P energy: -44.438 bonds (distance) P-C4' energy: -62.450 flat angles C4'-P-C4' energy: -52.859 flat angles P-C4'-P energy: -28.913 tors. eta vs tors. theta energy: -6.874 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: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1173.733745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.733745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.733745 (E_RNA) where: Base-Base interactions energy: -800.739 where: short stacking energy: -362.888 Base-Backbone interact. energy: 0.932 local terms energy: -373.926553 where: bonds (distance) C4'-P energy: -71.555 bonds (distance) P-C4' energy: -64.029 flat angles C4'-P-C4' energy: -83.189 flat angles P-C4'-P energy: -50.324 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: 2, replica: 3 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1103.674839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.674839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.674839 (E_RNA) where: Base-Base interactions energy: -735.907 where: short stacking energy: -344.698 Base-Backbone interact. energy: -2.925 local terms energy: -364.842705 where: bonds (distance) C4'-P energy: -59.081 bonds (distance) P-C4' energy: -74.169 flat angles C4'-P-C4' energy: -81.802 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -99.965 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: 4 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1046.668825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.668825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.668825 (E_RNA) where: Base-Base interactions energy: -681.140 where: short stacking energy: -333.504 Base-Backbone interact. energy: 0.020 local terms energy: -365.548612 where: bonds (distance) C4'-P energy: -72.660 bonds (distance) P-C4' energy: -75.075 flat angles C4'-P-C4' energy: -76.189 flat angles P-C4'-P energy: -50.113 tors. eta vs tors. theta energy: -91.512 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: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -930.298448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.298448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.298448 (E_RNA) where: Base-Base interactions energy: -624.001 where: short stacking energy: -293.390 Base-Backbone interact. energy: 3.391 local terms energy: -309.688491 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -68.240 flat angles C4'-P-C4' energy: -66.677 flat angles P-C4'-P energy: -44.019 tors. eta vs tors. theta energy: -79.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -957.518120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.518120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.518120 (E_RNA) where: Base-Base interactions energy: -629.066 where: short stacking energy: -302.349 Base-Backbone interact. energy: -2.513 local terms energy: -325.939153 where: bonds (distance) C4'-P energy: -52.557 bonds (distance) P-C4' energy: -56.607 flat angles C4'-P-C4' energy: -69.722 flat angles P-C4'-P energy: -54.062 tors. eta vs tors. theta energy: -92.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -849.317970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.317970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.317970 (E_RNA) where: Base-Base interactions energy: -546.348 where: short stacking energy: -263.123 Base-Backbone interact. energy: -0.312 local terms energy: -302.658406 where: bonds (distance) C4'-P energy: -68.020 bonds (distance) P-C4' energy: -60.281 flat angles C4'-P-C4' energy: -64.207 flat angles P-C4'-P energy: -41.951 tors. eta vs tors. theta energy: -68.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -855.175184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.175184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.175184 (E_RNA) where: Base-Base interactions energy: -546.024 where: short stacking energy: -269.092 Base-Backbone interact. energy: 0.401 local terms energy: -309.551370 where: bonds (distance) C4'-P energy: -67.263 bonds (distance) P-C4' energy: -61.188 flat angles C4'-P-C4' energy: -66.321 flat angles P-C4'-P energy: -42.519 tors. eta vs tors. theta energy: -72.261 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: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -613.332852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.332852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.332852 (E_RNA) where: Base-Base interactions energy: -366.582 where: short stacking energy: -207.435 Base-Backbone interact. energy: -0.889 local terms energy: -245.862344 where: bonds (distance) C4'-P energy: -50.502 bonds (distance) P-C4' energy: -65.594 flat angles C4'-P-C4' energy: -63.650 flat angles P-C4'-P energy: -22.280 tors. eta vs tors. theta energy: -43.836 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: 10 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -418.148301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.148301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.148301 (E_RNA) where: Base-Base interactions energy: -235.076 where: short stacking energy: -135.117 Base-Backbone interact. energy: 1.718 local terms energy: -184.790283 where: bonds (distance) C4'-P energy: -40.899 bonds (distance) P-C4' energy: -46.584 flat angles C4'-P-C4' energy: -54.460 flat angles P-C4'-P energy: -25.878 tors. eta vs tors. theta energy: -16.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -329.576331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.576331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.576331 (E_RNA) where: Base-Base interactions energy: -145.559 where: short stacking energy: -87.742 Base-Backbone interact. energy: -2.304 local terms energy: -181.714119 where: bonds (distance) C4'-P energy: -55.462 bonds (distance) P-C4' energy: -51.555 flat angles C4'-P-C4' energy: -53.502 flat angles P-C4'-P energy: -29.711 tors. eta vs tors. theta energy: 8.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1160.259079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.259079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.259079 (E_RNA) where: Base-Base interactions energy: -776.984 where: short stacking energy: -363.455 Base-Backbone interact. energy: 0.959 local terms energy: -384.234367 where: bonds (distance) C4'-P energy: -75.869 bonds (distance) P-C4' energy: -73.411 flat angles C4'-P-C4' energy: -76.627 flat angles P-C4'-P energy: -52.874 tors. eta vs tors. theta energy: -105.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1104.071600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.071600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.071600 (E_RNA) where: Base-Base interactions energy: -733.725 where: short stacking energy: -349.944 Base-Backbone interact. energy: -0.673 local terms energy: -369.673823 where: bonds (distance) C4'-P energy: -73.790 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -73.746 flat angles P-C4'-P energy: -51.473 tors. eta vs tors. theta energy: -106.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1021.182282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.182282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.182282 (E_RNA) where: Base-Base interactions energy: -659.926 where: short stacking energy: -311.930 Base-Backbone interact. energy: -0.292 local terms energy: -360.964047 where: bonds (distance) C4'-P energy: -64.509 bonds (distance) P-C4' energy: -76.606 flat angles C4'-P-C4' energy: -77.447 flat angles P-C4'-P energy: -44.298 tors. eta vs tors. theta energy: -98.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -968.190829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.190829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.190829 (E_RNA) where: Base-Base interactions energy: -629.841 where: short stacking energy: -287.577 Base-Backbone interact. energy: -2.061 local terms energy: -336.288548 where: bonds (distance) C4'-P energy: -64.032 bonds (distance) P-C4' energy: -68.164 flat angles C4'-P-C4' energy: -66.870 flat angles P-C4'-P energy: -49.994 tors. eta vs tors. theta energy: -87.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -904.845745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.845745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.845745 (E_RNA) where: Base-Base interactions energy: -618.076 where: short stacking energy: -274.873 Base-Backbone interact. energy: -0.450 local terms energy: -286.319477 where: bonds (distance) C4'-P energy: -53.103 bonds (distance) P-C4' energy: -55.289 flat angles C4'-P-C4' energy: -67.807 flat angles P-C4'-P energy: -37.479 tors. eta vs tors. theta energy: -72.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -843.923233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.923233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.923233 (E_RNA) where: Base-Base interactions energy: -551.848 where: short stacking energy: -262.541 Base-Backbone interact. energy: -0.724 local terms energy: -291.351415 where: bonds (distance) C4'-P energy: -52.812 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -70.800 flat angles P-C4'-P energy: -38.917 tors. eta vs tors. theta energy: -68.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -787.366502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.366502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.366502 (E_RNA) where: Base-Base interactions energy: -518.475 where: short stacking energy: -251.664 Base-Backbone interact. energy: -0.823 local terms energy: -268.068698 where: bonds (distance) C4'-P energy: -60.272 bonds (distance) P-C4' energy: -55.574 flat angles C4'-P-C4' energy: -59.264 flat angles P-C4'-P energy: -34.703 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: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -578.385509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.385509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.385509 (E_RNA) where: Base-Base interactions energy: -342.492 where: short stacking energy: -182.031 Base-Backbone interact. energy: -0.389 local terms energy: -235.504433 where: bonds (distance) C4'-P energy: -46.026 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -57.139 flat angles P-C4'-P energy: -39.379 tors. eta vs tors. theta energy: -35.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -434.506294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.506294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.506294 (E_RNA) where: Base-Base interactions energy: -218.923 where: short stacking energy: -146.537 Base-Backbone interact. energy: 0.582 local terms energy: -216.165494 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -63.634 flat angles C4'-P-C4' energy: -53.440 flat angles P-C4'-P energy: -31.242 tors. eta vs tors. theta energy: -3.402 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: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -346.706653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.706653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.706653 (E_RNA) where: Base-Base interactions energy: -164.593 where: short stacking energy: -102.397 Base-Backbone interact. energy: -1.025 local terms energy: -181.088122 where: bonds (distance) C4'-P energy: -51.402 bonds (distance) P-C4' energy: -58.470 flat angles C4'-P-C4' energy: -55.413 flat angles P-C4'-P energy: -13.630 tors. eta vs tors. theta energy: -2.173 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: 1, replica: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1190.618558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.618558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.618558 (E_RNA) where: Base-Base interactions energy: -801.354 where: short stacking energy: -395.865 Base-Backbone interact. energy: -1.126 local terms energy: -388.139036 where: bonds (distance) C4'-P energy: -66.325 bonds (distance) P-C4' energy: -74.863 flat angles C4'-P-C4' energy: -77.860 flat angles P-C4'-P energy: -55.599 tors. eta vs tors. theta energy: -113.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1082.361380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.361380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.361380 (E_RNA) where: Base-Base interactions energy: -725.959 where: short stacking energy: -337.835 Base-Backbone interact. energy: -0.806 local terms energy: -355.596662 where: bonds (distance) C4'-P energy: -58.833 bonds (distance) P-C4' energy: -74.812 flat angles C4'-P-C4' energy: -77.408 flat angles P-C4'-P energy: -45.109 tors. eta vs tors. theta energy: -99.436 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: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1022.020748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.020748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.020748 (E_RNA) where: Base-Base interactions energy: -660.875 where: short stacking energy: -315.055 Base-Backbone interact. energy: -0.404 local terms energy: -360.741880 where: bonds (distance) C4'-P energy: -70.391 bonds (distance) P-C4' energy: -69.645 flat angles C4'-P-C4' energy: -71.294 flat angles P-C4'-P energy: -51.570 tors. eta vs tors. theta energy: -97.841 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: 196 Temperature: 1.050000 Total energy: -949.392316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.392316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.392316 (E_RNA) where: Base-Base interactions energy: -618.619 where: short stacking energy: -295.622 Base-Backbone interact. energy: -0.374 local terms energy: -330.399590 where: bonds (distance) C4'-P energy: -67.309 bonds (distance) P-C4' energy: -68.012 flat angles C4'-P-C4' energy: -61.158 flat angles P-C4'-P energy: -43.171 tors. eta vs tors. theta energy: -90.750 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: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -899.484564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.484564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.484564 (E_RNA) where: Base-Base interactions energy: -589.759 where: short stacking energy: -273.999 Base-Backbone interact. energy: -0.479 local terms energy: -309.245922 where: bonds (distance) C4'-P energy: -61.978 bonds (distance) P-C4' energy: -56.958 flat angles C4'-P-C4' energy: -63.974 flat angles P-C4'-P energy: -49.553 tors. eta vs tors. theta energy: -76.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -817.220168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.220168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.220168 (E_RNA) where: Base-Base interactions energy: -517.891 where: short stacking energy: -245.245 Base-Backbone interact. energy: -1.057 local terms energy: -298.272319 where: bonds (distance) C4'-P energy: -63.281 bonds (distance) P-C4' energy: -59.827 flat angles C4'-P-C4' energy: -74.683 flat angles P-C4'-P energy: -41.902 tors. eta vs tors. theta energy: -58.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -835.459142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.459142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.459142 (E_RNA) where: Base-Base interactions energy: -529.325 where: short stacking energy: -253.086 Base-Backbone interact. energy: -1.109 local terms energy: -305.025074 where: bonds (distance) C4'-P energy: -59.206 bonds (distance) P-C4' energy: -65.989 flat angles C4'-P-C4' energy: -69.546 flat angles P-C4'-P energy: -42.668 tors. eta vs tors. theta energy: -67.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -599.710396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.710396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.710396 (E_RNA) where: Base-Base interactions energy: -340.006 where: short stacking energy: -173.665 Base-Backbone interact. energy: -0.436 local terms energy: -259.268813 where: bonds (distance) C4'-P energy: -65.813 bonds (distance) P-C4' energy: -65.584 flat angles C4'-P-C4' energy: -52.899 flat angles P-C4'-P energy: -33.093 tors. eta vs tors. theta energy: -41.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -403.771430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.771430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.771430 (E_RNA) where: Base-Base interactions energy: -191.926 where: short stacking energy: -112.108 Base-Backbone interact. energy: 0.991 local terms energy: -212.836879 where: bonds (distance) C4'-P energy: -61.342 bonds (distance) P-C4' energy: -63.681 flat angles C4'-P-C4' energy: -52.419 flat angles P-C4'-P energy: -27.885 tors. eta vs tors. theta energy: -7.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -340.739513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.739513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.739513 (E_RNA) where: Base-Base interactions energy: -122.106 where: short stacking energy: -86.851 Base-Backbone interact. energy: -0.621 local terms energy: -218.012239 where: bonds (distance) C4'-P energy: -64.502 bonds (distance) P-C4' energy: -57.584 flat angles C4'-P-C4' energy: -54.799 flat angles P-C4'-P energy: -43.888 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: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1168.071409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.071409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.071409 (E_RNA) where: Base-Base interactions energy: -788.484 where: short stacking energy: -387.573 Base-Backbone interact. energy: 0.007 local terms energy: -379.593793 where: bonds (distance) C4'-P energy: -72.139 bonds (distance) P-C4' energy: -65.434 flat angles C4'-P-C4' energy: -79.698 flat angles P-C4'-P energy: -48.199 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: 2, replica: 3 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1077.632905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.632905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.632905 (E_RNA) where: Base-Base interactions energy: -720.312 where: short stacking energy: -332.984 Base-Backbone interact. energy: -2.191 local terms energy: -355.130011 where: bonds (distance) C4'-P energy: -63.365 bonds (distance) P-C4' energy: -74.429 flat angles C4'-P-C4' energy: -72.819 flat angles P-C4'-P energy: -53.054 tors. eta vs tors. theta energy: -91.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1023.290039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.290039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.290039 (E_RNA) where: Base-Base interactions energy: -686.351 where: short stacking energy: -318.250 Base-Backbone interact. energy: 0.402 local terms energy: -337.340518 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -69.990 flat angles C4'-P-C4' energy: -69.213 flat angles P-C4'-P energy: -48.270 tors. eta vs tors. theta energy: -89.304 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: 197 Temperature: 1.050000 Total energy: -973.623022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.623022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.623022 (E_RNA) where: Base-Base interactions energy: -634.913 where: short stacking energy: -294.695 Base-Backbone interact. energy: -1.667 local terms energy: -337.043057 where: bonds (distance) C4'-P energy: -64.795 bonds (distance) P-C4' energy: -70.947 flat angles C4'-P-C4' energy: -74.640 flat angles P-C4'-P energy: -43.849 tors. eta vs tors. theta energy: -82.813 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: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -902.783207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.783207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.783207 (E_RNA) where: Base-Base interactions energy: -597.784 where: short stacking energy: -295.299 Base-Backbone interact. energy: -0.595 local terms energy: -304.403729 where: bonds (distance) C4'-P energy: -61.640 bonds (distance) P-C4' energy: -70.853 flat angles C4'-P-C4' energy: -58.108 flat angles P-C4'-P energy: -39.147 tors. eta vs tors. theta energy: -74.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -862.397832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.397832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.397832 (E_RNA) where: Base-Base interactions energy: -571.843 where: short stacking energy: -266.763 Base-Backbone interact. energy: -2.209 local terms energy: -288.345080 where: bonds (distance) C4'-P energy: -57.769 bonds (distance) P-C4' energy: -59.976 flat angles C4'-P-C4' energy: -60.157 flat angles P-C4'-P energy: -43.137 tors. eta vs tors. theta energy: -67.306 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: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -840.947488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.947488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.947488 (E_RNA) where: Base-Base interactions energy: -545.973 where: short stacking energy: -273.734 Base-Backbone interact. energy: -0.477 local terms energy: -294.497293 where: bonds (distance) C4'-P energy: -61.707 bonds (distance) P-C4' energy: -57.058 flat angles C4'-P-C4' energy: -56.780 flat angles P-C4'-P energy: -36.463 tors. eta vs tors. theta energy: -82.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -585.255363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.255363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.255363 (E_RNA) where: Base-Base interactions energy: -344.136 where: short stacking energy: -174.245 Base-Backbone interact. energy: -0.985 local terms energy: -240.134490 where: bonds (distance) C4'-P energy: -57.377 bonds (distance) P-C4' energy: -55.861 flat angles C4'-P-C4' energy: -64.707 flat angles P-C4'-P energy: -30.361 tors. eta vs tors. theta energy: -31.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -411.310592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.310592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.310592 (E_RNA) where: Base-Base interactions energy: -203.091 where: short stacking energy: -118.127 Base-Backbone interact. energy: 1.539 local terms energy: -209.758662 where: bonds (distance) C4'-P energy: -56.403 bonds (distance) P-C4' energy: -65.805 flat angles C4'-P-C4' energy: -57.428 flat angles P-C4'-P energy: -28.608 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -351.998996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.998996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.998996 (E_RNA) where: Base-Base interactions energy: -158.820 where: short stacking energy: -83.038 Base-Backbone interact. energy: 1.596 local terms energy: -194.775618 where: bonds (distance) C4'-P energy: -51.299 bonds (distance) P-C4' energy: -72.405 flat angles C4'-P-C4' energy: -52.850 flat angles P-C4'-P energy: -29.087 tors. eta vs tors. theta energy: 10.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1147.454361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.454361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.454361 (E_RNA) where: Base-Base interactions energy: -774.333 where: short stacking energy: -381.160 Base-Backbone interact. energy: 1.125 local terms energy: -374.246080 where: bonds (distance) C4'-P energy: -66.805 bonds (distance) P-C4' energy: -63.394 flat angles C4'-P-C4' energy: -81.552 flat angles P-C4'-P energy: -49.933 tors. eta vs tors. theta energy: -112.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1119.165151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.165151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.165151 (E_RNA) where: Base-Base interactions energy: -752.780 where: short stacking energy: -370.025 Base-Backbone interact. energy: -0.946 local terms energy: -365.438986 where: bonds (distance) C4'-P energy: -51.682 bonds (distance) P-C4' energy: -75.576 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -53.480 tors. eta vs tors. theta energy: -109.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1062.909669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.909669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.909669 (E_RNA) where: Base-Base interactions energy: -703.486 where: short stacking energy: -336.793 Base-Backbone interact. energy: 0.025 local terms energy: -359.448429 where: bonds (distance) C4'-P energy: -56.946 bonds (distance) P-C4' energy: -72.770 flat angles C4'-P-C4' energy: -75.647 flat angles P-C4'-P energy: -59.194 tors. eta vs tors. theta energy: -94.891 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: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -975.225516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.225516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.225516 (E_RNA) where: Base-Base interactions energy: -641.778 where: short stacking energy: -303.588 Base-Backbone interact. energy: 0.175 local terms energy: -333.622532 where: bonds (distance) C4'-P energy: -64.435 bonds (distance) P-C4' energy: -68.188 flat angles C4'-P-C4' energy: -70.669 flat angles P-C4'-P energy: -46.929 tors. eta vs tors. theta energy: -83.402 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: 5 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -920.647919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.647919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.647919 (E_RNA) where: Base-Base interactions energy: -611.266 where: short stacking energy: -292.725 Base-Backbone interact. energy: -0.530 local terms energy: -308.852448 where: bonds (distance) C4'-P energy: -59.543 bonds (distance) P-C4' energy: -60.959 flat angles C4'-P-C4' energy: -63.273 flat angles P-C4'-P energy: -43.993 tors. eta vs tors. theta energy: -81.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -832.150715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.150715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.150715 (E_RNA) where: Base-Base interactions energy: -532.021 where: short stacking energy: -244.663 Base-Backbone interact. energy: 1.999 local terms energy: -302.129247 where: bonds (distance) C4'-P energy: -67.486 bonds (distance) P-C4' energy: -66.299 flat angles C4'-P-C4' energy: -65.465 flat angles P-C4'-P energy: -50.905 tors. eta vs tors. theta energy: -51.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -821.246546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.246546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.246546 (E_RNA) where: Base-Base interactions energy: -528.089 where: short stacking energy: -255.557 Base-Backbone interact. energy: -1.402 local terms energy: -291.754787 where: bonds (distance) C4'-P energy: -53.290 bonds (distance) P-C4' energy: -63.169 flat angles C4'-P-C4' energy: -65.411 flat angles P-C4'-P energy: -41.902 tors. eta vs tors. theta energy: -67.983 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: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -593.346112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.346112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.346112 (E_RNA) where: Base-Base interactions energy: -331.757 where: short stacking energy: -176.565 Base-Backbone interact. energy: -0.367 local terms energy: -261.221796 where: bonds (distance) C4'-P energy: -59.723 bonds (distance) P-C4' energy: -60.660 flat angles C4'-P-C4' energy: -68.988 flat angles P-C4'-P energy: -39.894 tors. eta vs tors. theta energy: -31.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -479.918353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.918353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.918353 (E_RNA) where: Base-Base interactions energy: -275.907 where: short stacking energy: -159.831 Base-Backbone interact. energy: 0.917 local terms energy: -204.927884 where: bonds (distance) C4'-P energy: -46.498 bonds (distance) P-C4' energy: -55.274 flat angles C4'-P-C4' energy: -49.850 flat angles P-C4'-P energy: -35.262 tors. eta vs tors. theta energy: -18.043 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: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -330.951314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.951314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.951314 (E_RNA) where: Base-Base interactions energy: -155.094 where: short stacking energy: -77.072 Base-Backbone interact. energy: 2.810 local terms energy: -178.666886 where: bonds (distance) C4'-P energy: -60.868 bonds (distance) P-C4' energy: -53.196 flat angles C4'-P-C4' energy: -45.710 flat angles P-C4'-P energy: -27.363 tors. eta vs tors. theta energy: 8.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1160.209693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.209693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.209693 (E_RNA) where: Base-Base interactions energy: -779.185 where: short stacking energy: -367.955 Base-Backbone interact. energy: -0.935 local terms energy: -380.090278 where: bonds (distance) C4'-P energy: -74.441 bonds (distance) P-C4' energy: -70.834 flat angles C4'-P-C4' energy: -72.243 flat angles P-C4'-P energy: -59.940 tors. eta vs tors. theta energy: -102.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1109.790668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.790668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.790668 (E_RNA) where: Base-Base interactions energy: -753.824 where: short stacking energy: -362.940 Base-Backbone interact. energy: -2.639 local terms energy: -353.327089 where: bonds (distance) C4'-P energy: -70.096 bonds (distance) P-C4' energy: -62.971 flat angles C4'-P-C4' energy: -68.065 flat angles P-C4'-P energy: -47.356 tors. eta vs tors. theta energy: -104.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1049.565294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.565294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.565294 (E_RNA) where: Base-Base interactions energy: -693.480 where: short stacking energy: -337.692 Base-Backbone interact. energy: -0.285 local terms energy: -355.800710 where: bonds (distance) C4'-P energy: -69.403 bonds (distance) P-C4' energy: -72.979 flat angles C4'-P-C4' energy: -70.670 flat angles P-C4'-P energy: -39.254 tors. eta vs tors. theta energy: -103.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -943.874803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.874803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.874803 (E_RNA) where: Base-Base interactions energy: -636.397 where: short stacking energy: -265.299 Base-Backbone interact. energy: 0.366 local terms energy: -307.843563 where: bonds (distance) C4'-P energy: -71.172 bonds (distance) P-C4' energy: -58.431 flat angles C4'-P-C4' energy: -73.199 flat angles P-C4'-P energy: -35.830 tors. eta vs tors. theta energy: -69.212 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: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -950.929392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.929392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.929392 (E_RNA) where: Base-Base interactions energy: -646.412 where: short stacking energy: -298.369 Base-Backbone interact. energy: 1.673 local terms energy: -306.190867 where: bonds (distance) C4'-P energy: -41.858 bonds (distance) P-C4' energy: -58.488 flat angles C4'-P-C4' energy: -74.048 flat angles P-C4'-P energy: -46.015 tors. eta vs tors. theta energy: -85.782 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: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -871.219375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.219375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.219375 (E_RNA) where: Base-Base interactions energy: -565.274 where: short stacking energy: -270.747 Base-Backbone interact. energy: -2.192 local terms energy: -303.753621 where: bonds (distance) C4'-P energy: -56.345 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -62.390 flat angles P-C4'-P energy: -39.874 tors. eta vs tors. theta energy: -79.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -797.675420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.675420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.675420 (E_RNA) where: Base-Base interactions energy: -500.552 where: short stacking energy: -246.516 Base-Backbone interact. energy: -2.083 local terms energy: -295.040239 where: bonds (distance) C4'-P energy: -61.210 bonds (distance) P-C4' energy: -43.366 flat angles C4'-P-C4' energy: -69.202 flat angles P-C4'-P energy: -46.389 tors. eta vs tors. theta energy: -74.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -537.158573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.158573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.158573 (E_RNA) where: Base-Base interactions energy: -276.444 where: short stacking energy: -151.969 Base-Backbone interact. energy: -0.841 local terms energy: -259.874449 where: bonds (distance) C4'-P energy: -61.303 bonds (distance) P-C4' energy: -66.645 flat angles C4'-P-C4' energy: -60.096 flat angles P-C4'-P energy: -47.677 tors. eta vs tors. theta energy: -24.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -565.768626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.768626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.768626 (E_RNA) where: Base-Base interactions energy: -308.494 where: short stacking energy: -174.691 Base-Backbone interact. energy: 0.448 local terms energy: -257.723250 where: bonds (distance) C4'-P energy: -55.396 bonds (distance) P-C4' energy: -63.750 flat angles C4'-P-C4' energy: -61.230 flat angles P-C4'-P energy: -33.682 tors. eta vs tors. theta energy: -43.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -326.771391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.771391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.771391 (E_RNA) where: Base-Base interactions energy: -150.026 where: short stacking energy: -78.392 Base-Backbone interact. energy: 2.422 local terms energy: -179.167337 where: bonds (distance) C4'-P energy: -56.280 bonds (distance) P-C4' energy: -62.720 flat angles C4'-P-C4' energy: -42.745 flat angles P-C4'-P energy: -16.434 tors. eta vs tors. theta energy: -0.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1184.440072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.440072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.440072 (E_RNA) where: Base-Base interactions energy: -786.456 where: short stacking energy: -379.665 Base-Backbone interact. energy: -1.503 local terms energy: -396.480760 where: bonds (distance) C4'-P energy: -68.833 bonds (distance) P-C4' energy: -68.233 flat angles C4'-P-C4' energy: -82.258 flat angles P-C4'-P energy: -61.468 tors. eta vs tors. theta energy: -115.688 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: 3 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1097.679077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.679077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.679077 (E_RNA) where: Base-Base interactions energy: -737.127 where: short stacking energy: -327.382 Base-Backbone interact. energy: 1.570 local terms energy: -362.122555 where: bonds (distance) C4'-P energy: -69.892 bonds (distance) P-C4' energy: -78.655 flat angles C4'-P-C4' energy: -62.570 flat angles P-C4'-P energy: -51.146 tors. eta vs tors. theta energy: -99.859 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: 3, replica: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1062.758232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.758232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.758232 (E_RNA) where: Base-Base interactions energy: -688.453 where: short stacking energy: -331.964 Base-Backbone interact. energy: 0.528 local terms energy: -374.833005 where: bonds (distance) C4'-P energy: -68.718 bonds (distance) P-C4' energy: -67.153 flat angles C4'-P-C4' energy: -76.981 flat angles P-C4'-P energy: -58.908 tors. eta vs tors. theta energy: -103.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -969.866770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.866770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.866770 (E_RNA) where: Base-Base interactions energy: -643.346 where: short stacking energy: -279.990 Base-Backbone interact. energy: 0.701 local terms energy: -327.222150 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -62.625 flat angles C4'-P-C4' energy: -79.686 flat angles P-C4'-P energy: -45.673 tors. eta vs tors. theta energy: -80.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -968.958365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.958365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.958365 (E_RNA) where: Base-Base interactions energy: -638.893 where: short stacking energy: -305.385 Base-Backbone interact. energy: -1.195 local terms energy: -328.870730 where: bonds (distance) C4'-P energy: -56.862 bonds (distance) P-C4' energy: -69.832 flat angles C4'-P-C4' energy: -71.647 flat angles P-C4'-P energy: -43.085 tors. eta vs tors. theta energy: -87.445 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: 200 Temperature: 1.150000 Total energy: -822.185655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.185655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.185655 (E_RNA) where: Base-Base interactions energy: -534.089 where: short stacking energy: -269.157 Base-Backbone interact. energy: -1.024 local terms energy: -287.072750 where: bonds (distance) C4'-P energy: -64.765 bonds (distance) P-C4' energy: -51.847 flat angles C4'-P-C4' energy: -67.115 flat angles P-C4'-P energy: -46.961 tors. eta vs tors. theta energy: -56.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -783.260943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.260943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.260943 (E_RNA) where: Base-Base interactions energy: -485.353 where: short stacking energy: -240.633 Base-Backbone interact. energy: -0.442 local terms energy: -297.465398 where: bonds (distance) C4'-P energy: -66.278 bonds (distance) P-C4' energy: -69.088 flat angles C4'-P-C4' energy: -58.235 flat angles P-C4'-P energy: -34.506 tors. eta vs tors. theta energy: -69.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -566.983236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.983236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.983236 (E_RNA) where: Base-Base interactions energy: -325.508 where: short stacking energy: -158.410 Base-Backbone interact. energy: -0.390 local terms energy: -241.084799 where: bonds (distance) C4'-P energy: -43.477 bonds (distance) P-C4' energy: -67.777 flat angles C4'-P-C4' energy: -64.520 flat angles P-C4'-P energy: -39.346 tors. eta vs tors. theta energy: -25.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -563.671492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.671492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.671492 (E_RNA) where: Base-Base interactions energy: -323.975 where: short stacking energy: -155.011 Base-Backbone interact. energy: -1.226 local terms energy: -238.470363 where: bonds (distance) C4'-P energy: -62.654 bonds (distance) P-C4' energy: -65.522 flat angles C4'-P-C4' energy: -49.878 flat angles P-C4'-P energy: -40.253 tors. eta vs tors. theta energy: -20.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -355.059729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.059729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.059729 (E_RNA) where: Base-Base interactions energy: -189.407 where: short stacking energy: -110.535 Base-Backbone interact. energy: 1.109 local terms energy: -166.761756 where: bonds (distance) C4'-P energy: -41.771 bonds (distance) P-C4' energy: -58.433 flat angles C4'-P-C4' energy: -49.903 flat angles P-C4'-P energy: -29.789 tors. eta vs tors. theta energy: 13.135 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: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1150.520575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.520575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.520575 (E_RNA) where: Base-Base interactions energy: -761.872 where: short stacking energy: -349.766 Base-Backbone interact. energy: -1.866 local terms energy: -386.782744 where: bonds (distance) C4'-P energy: -71.420 bonds (distance) P-C4' energy: -71.595 flat angles C4'-P-C4' energy: -80.541 flat angles P-C4'-P energy: -53.552 tors. eta vs tors. theta energy: -109.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1077.988733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.988733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.988733 (E_RNA) where: Base-Base interactions energy: -747.378 where: short stacking energy: -317.596 Base-Backbone interact. energy: 0.903 local terms energy: -331.514533 where: bonds (distance) C4'-P energy: -74.835 bonds (distance) P-C4' energy: -68.854 flat angles C4'-P-C4' energy: -66.188 flat angles P-C4'-P energy: -35.307 tors. eta vs tors. theta energy: -86.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1034.585380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.585380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.585380 (E_RNA) where: Base-Base interactions energy: -683.055 where: short stacking energy: -333.508 Base-Backbone interact. energy: -0.250 local terms energy: -351.281170 where: bonds (distance) C4'-P energy: -60.999 bonds (distance) P-C4' energy: -49.528 flat angles C4'-P-C4' energy: -79.303 flat angles P-C4'-P energy: -58.776 tors. eta vs tors. theta energy: -102.676 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: 201 Temperature: 1.050000 Total energy: -994.559314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.559314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.559314 (E_RNA) where: Base-Base interactions energy: -651.909 where: short stacking energy: -298.627 Base-Backbone interact. energy: -1.468 local terms energy: -341.182093 where: bonds (distance) C4'-P energy: -70.296 bonds (distance) P-C4' energy: -68.277 flat angles C4'-P-C4' energy: -60.617 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: -92.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -928.373984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.373984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.373984 (E_RNA) where: Base-Base interactions energy: -607.080 where: short stacking energy: -265.702 Base-Backbone interact. energy: 0.190 local terms energy: -321.484111 where: bonds (distance) C4'-P energy: -68.281 bonds (distance) P-C4' energy: -70.233 flat angles C4'-P-C4' energy: -67.644 flat angles P-C4'-P energy: -44.294 tors. eta vs tors. theta energy: -71.031 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: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -775.643400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.643400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.643400 (E_RNA) where: Base-Base interactions energy: -508.106 where: short stacking energy: -244.870 Base-Backbone interact. energy: -0.362 local terms energy: -267.176124 where: bonds (distance) C4'-P energy: -67.586 bonds (distance) P-C4' energy: -55.758 flat angles C4'-P-C4' energy: -61.582 flat angles P-C4'-P energy: -40.773 tors. eta vs tors. theta energy: -41.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -725.514073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.514073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.514073 (E_RNA) where: Base-Base interactions energy: -454.402 where: short stacking energy: -239.485 Base-Backbone interact. energy: -0.450 local terms energy: -270.662205 where: bonds (distance) C4'-P energy: -49.698 bonds (distance) P-C4' energy: -58.195 flat angles C4'-P-C4' energy: -63.490 flat angles P-C4'-P energy: -41.750 tors. eta vs tors. theta energy: -57.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -624.964473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.964473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.964473 (E_RNA) where: Base-Base interactions energy: -358.429 where: short stacking energy: -164.788 Base-Backbone interact. energy: 0.763 local terms energy: -267.298187 where: bonds (distance) C4'-P energy: -52.966 bonds (distance) P-C4' energy: -69.747 flat angles C4'-P-C4' energy: -66.475 flat angles P-C4'-P energy: -43.304 tors. eta vs tors. theta energy: -34.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -504.982369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.982369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.982369 (E_RNA) where: Base-Base interactions energy: -280.612 where: short stacking energy: -150.976 Base-Backbone interact. energy: 1.406 local terms energy: -225.776986 where: bonds (distance) C4'-P energy: -47.620 bonds (distance) P-C4' energy: -52.056 flat angles C4'-P-C4' energy: -56.854 flat angles P-C4'-P energy: -30.015 tors. eta vs tors. theta energy: -39.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -345.560749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.560749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.560749 (E_RNA) where: Base-Base interactions energy: -136.974 where: short stacking energy: -80.005 Base-Backbone interact. energy: -1.642 local terms energy: -206.944317 where: bonds (distance) C4'-P energy: -51.151 bonds (distance) P-C4' energy: -79.194 flat angles C4'-P-C4' energy: -42.515 flat angles P-C4'-P energy: -35.238 tors. eta vs tors. theta energy: 1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1170.298296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.298296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.298296 (E_RNA) where: Base-Base interactions energy: -795.713 where: short stacking energy: -372.226 Base-Backbone interact. energy: -0.840 local terms energy: -373.745260 where: bonds (distance) C4'-P energy: -63.732 bonds (distance) P-C4' energy: -70.907 flat angles C4'-P-C4' energy: -79.704 flat angles P-C4'-P energy: -52.682 tors. eta vs tors. theta energy: -106.720 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: 202 Temperature: 0.950000 Total energy: -1084.935478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.935478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.935478 (E_RNA) where: Base-Base interactions energy: -743.843 where: short stacking energy: -322.776 Base-Backbone interact. energy: 0.450 local terms energy: -341.542328 where: bonds (distance) C4'-P energy: -72.264 bonds (distance) P-C4' energy: -67.224 flat angles C4'-P-C4' energy: -63.441 flat angles P-C4'-P energy: -45.351 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: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1039.360650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.360650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.360650 (E_RNA) where: Base-Base interactions energy: -702.714 where: short stacking energy: -338.496 Base-Backbone interact. energy: -2.847 local terms energy: -333.799796 where: bonds (distance) C4'-P energy: -52.316 bonds (distance) P-C4' energy: -57.870 flat angles C4'-P-C4' energy: -67.247 flat angles P-C4'-P energy: -53.264 tors. eta vs tors. theta energy: -103.102 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: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1010.165905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.165905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.165905 (E_RNA) where: Base-Base interactions energy: -658.259 where: short stacking energy: -317.357 Base-Backbone interact. energy: -0.521 local terms energy: -351.385660 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -71.276 flat angles C4'-P-C4' energy: -78.318 flat angles P-C4'-P energy: -50.305 tors. eta vs tors. theta energy: -91.560 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: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -913.617883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.617883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.617883 (E_RNA) where: Base-Base interactions energy: -606.220 where: short stacking energy: -271.836 Base-Backbone interact. energy: -0.540 local terms energy: -306.858016 where: bonds (distance) C4'-P energy: -61.295 bonds (distance) P-C4' energy: -69.014 flat angles C4'-P-C4' energy: -63.581 flat angles P-C4'-P energy: -42.374 tors. eta vs tors. theta energy: -70.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -794.675115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.675115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.675115 (E_RNA) where: Base-Base interactions energy: -513.767 where: short stacking energy: -254.989 Base-Backbone interact. energy: -1.192 local terms energy: -279.716201 where: bonds (distance) C4'-P energy: -53.889 bonds (distance) P-C4' energy: -54.038 flat angles C4'-P-C4' energy: -70.832 flat angles P-C4'-P energy: -39.213 tors. eta vs tors. theta energy: -61.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -715.997597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.997597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.997597 (E_RNA) where: Base-Base interactions energy: -440.026 where: short stacking energy: -240.572 Base-Backbone interact. energy: 2.492 local terms energy: -278.463253 where: bonds (distance) C4'-P energy: -49.987 bonds (distance) P-C4' energy: -57.265 flat angles C4'-P-C4' energy: -69.527 flat angles P-C4'-P energy: -45.464 tors. eta vs tors. theta energy: -56.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -623.447357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.447357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.447357 (E_RNA) where: Base-Base interactions energy: -392.730 where: short stacking energy: -186.944 Base-Backbone interact. energy: 3.177 local terms energy: -233.894117 where: bonds (distance) C4'-P energy: -56.654 bonds (distance) P-C4' energy: -58.907 flat angles C4'-P-C4' energy: -62.027 flat angles P-C4'-P energy: -22.186 tors. eta vs tors. theta energy: -34.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -474.972115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.972115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.972115 (E_RNA) where: Base-Base interactions energy: -263.098 where: short stacking energy: -146.248 Base-Backbone interact. energy: 0.943 local terms energy: -212.817064 where: bonds (distance) C4'-P energy: -52.731 bonds (distance) P-C4' energy: -57.759 flat angles C4'-P-C4' energy: -44.766 flat angles P-C4'-P energy: -37.432 tors. eta vs tors. theta energy: -20.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -359.834970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.834970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.834970 (E_RNA) where: Base-Base interactions energy: -173.859 where: short stacking energy: -130.113 Base-Backbone interact. energy: 0.139 local terms energy: -186.115236 where: bonds (distance) C4'-P energy: -40.182 bonds (distance) P-C4' energy: -60.308 flat angles C4'-P-C4' energy: -42.319 flat angles P-C4'-P energy: -29.536 tors. eta vs tors. theta energy: -13.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1179.408730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.408730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.408730 (E_RNA) where: Base-Base interactions energy: -789.643 where: short stacking energy: -370.580 Base-Backbone interact. energy: -1.609 local terms energy: -388.156002 where: bonds (distance) C4'-P energy: -75.823 bonds (distance) P-C4' energy: -75.720 flat angles C4'-P-C4' energy: -79.815 flat angles P-C4'-P energy: -49.332 tors. eta vs tors. theta energy: -107.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1073.220821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.220821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.220821 (E_RNA) where: Base-Base interactions energy: -709.177 where: short stacking energy: -305.525 Base-Backbone interact. energy: 1.194 local terms energy: -365.237724 where: bonds (distance) C4'-P energy: -62.199 bonds (distance) P-C4' energy: -78.639 flat angles C4'-P-C4' energy: -80.501 flat angles P-C4'-P energy: -49.403 tors. eta vs tors. theta energy: -94.496 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: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1010.930282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.930282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.930282 (E_RNA) where: Base-Base interactions energy: -675.007 where: short stacking energy: -307.809 Base-Backbone interact. energy: 0.136 local terms energy: -336.059091 where: bonds (distance) C4'-P energy: -60.660 bonds (distance) P-C4' energy: -68.956 flat angles C4'-P-C4' energy: -71.684 flat angles P-C4'-P energy: -51.695 tors. eta vs tors. theta energy: -83.063 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: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -989.807323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.807323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.807323 (E_RNA) where: Base-Base interactions energy: -654.972 where: short stacking energy: -302.969 Base-Backbone interact. energy: -1.477 local terms energy: -333.357649 where: bonds (distance) C4'-P energy: -65.186 bonds (distance) P-C4' energy: -63.045 flat angles C4'-P-C4' energy: -81.733 flat angles P-C4'-P energy: -36.707 tors. eta vs tors. theta energy: -86.686 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: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -924.971011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.971011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.971011 (E_RNA) where: Base-Base interactions energy: -620.815 where: short stacking energy: -289.667 Base-Backbone interact. energy: -0.753 local terms energy: -303.402642 where: bonds (distance) C4'-P energy: -51.565 bonds (distance) P-C4' energy: -59.591 flat angles C4'-P-C4' energy: -64.691 flat angles P-C4'-P energy: -50.094 tors. eta vs tors. theta energy: -77.462 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: 8 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -820.015775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.015775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.015775 (E_RNA) where: Base-Base interactions energy: -521.232 where: short stacking energy: -260.829 Base-Backbone interact. energy: -0.151 local terms energy: -298.632850 where: bonds (distance) C4'-P energy: -54.993 bonds (distance) P-C4' energy: -60.015 flat angles C4'-P-C4' energy: -78.041 flat angles P-C4'-P energy: -42.115 tors. eta vs tors. theta energy: -63.468 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: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -735.382004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.382004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.382004 (E_RNA) where: Base-Base interactions energy: -464.146 where: short stacking energy: -222.219 Base-Backbone interact. energy: -1.513 local terms energy: -269.722588 where: bonds (distance) C4'-P energy: -53.308 bonds (distance) P-C4' energy: -54.366 flat angles C4'-P-C4' energy: -61.029 flat angles P-C4'-P energy: -43.035 tors. eta vs tors. theta energy: -57.984 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: 9 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -630.217700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.217700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.217700 (E_RNA) where: Base-Base interactions energy: -379.362 where: short stacking energy: -177.496 Base-Backbone interact. energy: -2.094 local terms energy: -248.762369 where: bonds (distance) C4'-P energy: -59.563 bonds (distance) P-C4' energy: -64.035 flat angles C4'-P-C4' energy: -59.578 flat angles P-C4'-P energy: -38.907 tors. eta vs tors. theta energy: -26.679 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: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -430.335571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.335571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.335571 (E_RNA) where: Base-Base interactions energy: -240.724 where: short stacking energy: -148.372 Base-Backbone interact. energy: -0.926 local terms energy: -188.685408 where: bonds (distance) C4'-P energy: -46.125 bonds (distance) P-C4' energy: -57.886 flat angles C4'-P-C4' energy: -47.417 flat angles P-C4'-P energy: -20.525 tors. eta vs tors. theta energy: -16.732 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: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -324.909688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.909688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.909688 (E_RNA) where: Base-Base interactions energy: -135.771 where: short stacking energy: -91.956 Base-Backbone interact. energy: -2.236 local terms energy: -186.903277 where: bonds (distance) C4'-P energy: -57.808 bonds (distance) P-C4' energy: -53.296 flat angles C4'-P-C4' energy: -60.611 flat angles P-C4'-P energy: -26.815 tors. eta vs tors. theta energy: 11.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1161.288635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.288635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.288635 (E_RNA) where: Base-Base interactions energy: -785.402 where: short stacking energy: -378.633 Base-Backbone interact. energy: -1.279 local terms energy: -374.607272 where: bonds (distance) C4'-P energy: -66.663 bonds (distance) P-C4' energy: -73.179 flat angles C4'-P-C4' energy: -75.288 flat angles P-C4'-P energy: -43.214 tors. eta vs tors. theta energy: -116.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1082.075387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.075387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.075387 (E_RNA) where: Base-Base interactions energy: -756.535 where: short stacking energy: -339.914 Base-Backbone interact. energy: -1.410 local terms energy: -324.129991 where: bonds (distance) C4'-P energy: -50.081 bonds (distance) P-C4' energy: -62.429 flat angles C4'-P-C4' energy: -76.558 flat angles P-C4'-P energy: -46.464 tors. eta vs tors. theta energy: -88.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1008.614807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.614807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.614807 (E_RNA) where: Base-Base interactions energy: -666.810 where: short stacking energy: -326.344 Base-Backbone interact. energy: -0.435 local terms energy: -341.369792 where: bonds (distance) C4'-P energy: -67.888 bonds (distance) P-C4' energy: -61.124 flat angles C4'-P-C4' energy: -66.799 flat angles P-C4'-P energy: -47.758 tors. eta vs tors. theta energy: -97.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1018.129484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.129484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.129484 (E_RNA) where: Base-Base interactions energy: -687.692 where: short stacking energy: -330.587 Base-Backbone interact. energy: -0.395 local terms energy: -330.042826 where: bonds (distance) C4'-P energy: -70.029 bonds (distance) P-C4' energy: -60.358 flat angles C4'-P-C4' energy: -60.986 flat angles P-C4'-P energy: -43.439 tors. eta vs tors. theta energy: -95.232 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: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -928.001523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.001523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.001523 (E_RNA) where: Base-Base interactions energy: -604.320 where: short stacking energy: -289.946 Base-Backbone interact. energy: -1.139 local terms energy: -322.542462 where: bonds (distance) C4'-P energy: -58.383 bonds (distance) P-C4' energy: -62.320 flat angles C4'-P-C4' energy: -66.460 flat angles P-C4'-P energy: -50.009 tors. eta vs tors. theta energy: -85.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -790.088994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.088994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.088994 (E_RNA) where: Base-Base interactions energy: -488.919 where: short stacking energy: -217.411 Base-Backbone interact. energy: 2.335 local terms energy: -303.504301 where: bonds (distance) C4'-P energy: -72.021 bonds (distance) P-C4' energy: -72.260 flat angles C4'-P-C4' energy: -63.167 flat angles P-C4'-P energy: -45.938 tors. eta vs tors. theta energy: -50.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -771.889129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.889129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.889129 (E_RNA) where: Base-Base interactions energy: -477.074 where: short stacking energy: -245.021 Base-Backbone interact. energy: -0.156 local terms energy: -294.659428 where: bonds (distance) C4'-P energy: -62.493 bonds (distance) P-C4' energy: -68.265 flat angles C4'-P-C4' energy: -61.453 flat angles P-C4'-P energy: -45.741 tors. eta vs tors. theta energy: -56.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -610.904064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.904064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.904064 (E_RNA) where: Base-Base interactions energy: -387.564 where: short stacking energy: -192.700 Base-Backbone interact. energy: -1.133 local terms energy: -222.207723 where: bonds (distance) C4'-P energy: -46.799 bonds (distance) P-C4' energy: -53.922 flat angles C4'-P-C4' energy: -43.994 flat angles P-C4'-P energy: -35.435 tors. eta vs tors. theta energy: -42.057 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: 7 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -450.867889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.867889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.867889 (E_RNA) where: Base-Base interactions energy: -241.945 where: short stacking energy: -135.027 Base-Backbone interact. energy: -0.445 local terms energy: -208.477847 where: bonds (distance) C4'-P energy: -47.993 bonds (distance) P-C4' energy: -58.405 flat angles C4'-P-C4' energy: -52.295 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -11.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -319.844374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.844374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.844374 (E_RNA) where: Base-Base interactions energy: -127.140 where: short stacking energy: -81.404 Base-Backbone interact. energy: -1.179 local terms energy: -191.524676 where: bonds (distance) C4'-P energy: -52.819 bonds (distance) P-C4' energy: -64.554 flat angles C4'-P-C4' energy: -47.145 flat angles P-C4'-P energy: -29.233 tors. eta vs tors. theta energy: 2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1161.368191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.368191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.368191 (E_RNA) where: Base-Base interactions energy: -765.843 where: short stacking energy: -359.561 Base-Backbone interact. energy: -0.632 local terms energy: -394.893073 where: bonds (distance) C4'-P energy: -73.521 bonds (distance) P-C4' energy: -77.809 flat angles C4'-P-C4' energy: -85.490 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -109.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1078.634742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.634742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.634742 (E_RNA) where: Base-Base interactions energy: -733.899 where: short stacking energy: -306.370 Base-Backbone interact. energy: -1.691 local terms energy: -343.043965 where: bonds (distance) C4'-P energy: -67.440 bonds (distance) P-C4' energy: -78.403 flat angles C4'-P-C4' energy: -69.269 flat angles P-C4'-P energy: -46.406 tors. eta vs tors. theta energy: -81.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1028.259851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.259851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.259851 (E_RNA) where: Base-Base interactions energy: -674.263 where: short stacking energy: -309.317 Base-Backbone interact. energy: -0.550 local terms energy: -353.446776 where: bonds (distance) C4'-P energy: -69.347 bonds (distance) P-C4' energy: -70.199 flat angles C4'-P-C4' energy: -66.636 flat angles P-C4'-P energy: -48.548 tors. eta vs tors. theta energy: -98.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -980.382020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.382020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.382020 (E_RNA) where: Base-Base interactions energy: -657.337 where: short stacking energy: -303.948 Base-Backbone interact. energy: 0.010 local terms energy: -323.054683 where: bonds (distance) C4'-P energy: -57.567 bonds (distance) P-C4' energy: -64.781 flat angles C4'-P-C4' energy: -82.469 flat angles P-C4'-P energy: -39.969 tors. eta vs tors. theta energy: -78.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -982.151891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.151891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.151891 (E_RNA) where: Base-Base interactions energy: -634.859 where: short stacking energy: -305.970 Base-Backbone interact. energy: 2.926 local terms energy: -350.218863 where: bonds (distance) C4'-P energy: -59.641 bonds (distance) P-C4' energy: -69.504 flat angles C4'-P-C4' energy: -80.974 flat angles P-C4'-P energy: -46.860 tors. eta vs tors. theta energy: -93.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -791.701625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.701625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.701625 (E_RNA) where: Base-Base interactions energy: -504.583 where: short stacking energy: -246.173 Base-Backbone interact. energy: 3.170 local terms energy: -290.288720 where: bonds (distance) C4'-P energy: -59.493 bonds (distance) P-C4' energy: -59.601 flat angles C4'-P-C4' energy: -63.092 flat angles P-C4'-P energy: -41.568 tors. eta vs tors. theta energy: -66.535 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: 205 Temperature: 1.200000 Total energy: -773.608811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.608811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.608811 (E_RNA) where: Base-Base interactions energy: -492.656 where: short stacking energy: -226.822 Base-Backbone interact. energy: -0.588 local terms energy: -280.365563 where: bonds (distance) C4'-P energy: -66.936 bonds (distance) P-C4' energy: -62.050 flat angles C4'-P-C4' energy: -54.935 flat angles P-C4'-P energy: -34.394 tors. eta vs tors. theta energy: -62.051 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: 9 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -621.009373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.009373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.009373 (E_RNA) where: Base-Base interactions energy: -363.072 where: short stacking energy: -173.053 Base-Backbone interact. energy: 0.597 local terms energy: -258.534472 where: bonds (distance) C4'-P energy: -61.880 bonds (distance) P-C4' energy: -63.547 flat angles C4'-P-C4' energy: -58.607 flat angles P-C4'-P energy: -41.910 tors. eta vs tors. theta energy: -32.592 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: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -464.813102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.813102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.813102 (E_RNA) where: Base-Base interactions energy: -230.906 where: short stacking energy: -145.159 Base-Backbone interact. energy: 3.091 local terms energy: -236.998776 where: bonds (distance) C4'-P energy: -53.509 bonds (distance) P-C4' energy: -68.899 flat angles C4'-P-C4' energy: -50.930 flat angles P-C4'-P energy: -33.411 tors. eta vs tors. theta energy: -30.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -304.441663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.441663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.441663 (E_RNA) where: Base-Base interactions energy: -131.921 where: short stacking energy: -88.680 Base-Backbone interact. energy: 7.437 local terms energy: -179.956916 where: bonds (distance) C4'-P energy: -50.354 bonds (distance) P-C4' energy: -55.602 flat angles C4'-P-C4' energy: -57.310 flat angles P-C4'-P energy: -23.176 tors. eta vs tors. theta energy: 6.485 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: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1164.070775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.070775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.070775 (E_RNA) where: Base-Base interactions energy: -778.857 where: short stacking energy: -371.578 Base-Backbone interact. energy: 0.005 local terms energy: -385.219558 where: bonds (distance) C4'-P energy: -63.257 bonds (distance) P-C4' energy: -71.738 flat angles C4'-P-C4' energy: -81.818 flat angles P-C4'-P energy: -57.241 tors. eta vs tors. theta energy: -111.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1089.062181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.062181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.062181 (E_RNA) where: Base-Base interactions energy: -728.780 where: short stacking energy: -336.243 Base-Backbone interact. energy: -0.784 local terms energy: -359.498602 where: bonds (distance) C4'-P energy: -72.142 bonds (distance) P-C4' energy: -72.364 flat angles C4'-P-C4' energy: -71.196 flat angles P-C4'-P energy: -48.055 tors. eta vs tors. theta energy: -95.741 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: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1028.665094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.665094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.665094 (E_RNA) where: Base-Base interactions energy: -690.451 where: short stacking energy: -329.764 Base-Backbone interact. energy: 1.586 local terms energy: -339.800332 where: bonds (distance) C4'-P energy: -51.114 bonds (distance) P-C4' energy: -72.193 flat angles C4'-P-C4' energy: -77.242 flat angles P-C4'-P energy: -47.787 tors. eta vs tors. theta energy: -91.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -994.532080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.532080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.532080 (E_RNA) where: Base-Base interactions energy: -651.116 where: short stacking energy: -298.628 Base-Backbone interact. energy: -0.306 local terms energy: -343.109629 where: bonds (distance) C4'-P energy: -71.056 bonds (distance) P-C4' energy: -68.289 flat angles C4'-P-C4' energy: -73.429 flat angles P-C4'-P energy: -42.652 tors. eta vs tors. theta energy: -87.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -939.339486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.339486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.339486 (E_RNA) where: Base-Base interactions energy: -611.480 where: short stacking energy: -279.308 Base-Backbone interact. energy: -2.104 local terms energy: -325.755114 where: bonds (distance) C4'-P energy: -73.088 bonds (distance) P-C4' energy: -68.651 flat angles C4'-P-C4' energy: -68.134 flat angles P-C4'-P energy: -37.008 tors. eta vs tors. theta energy: -78.874 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: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -769.440795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.440795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.440795 (E_RNA) where: Base-Base interactions energy: -493.875 where: short stacking energy: -229.056 Base-Backbone interact. energy: -0.412 local terms energy: -275.153741 where: bonds (distance) C4'-P energy: -59.194 bonds (distance) P-C4' energy: -55.492 flat angles C4'-P-C4' energy: -57.981 flat angles P-C4'-P energy: -44.227 tors. eta vs tors. theta energy: -58.259 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: 206 Temperature: 1.200000 Total energy: -806.115340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.115340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.115340 (E_RNA) where: Base-Base interactions energy: -535.303 where: short stacking energy: -250.579 Base-Backbone interact. energy: -1.365 local terms energy: -269.447343 where: bonds (distance) C4'-P energy: -53.594 bonds (distance) P-C4' energy: -54.733 flat angles C4'-P-C4' energy: -56.273 flat angles P-C4'-P energy: -37.465 tors. eta vs tors. theta energy: -67.383 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: 206 Temperature: 1.250000 Total energy: -645.452149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.452149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.452149 (E_RNA) where: Base-Base interactions energy: -399.049 where: short stacking energy: -196.641 Base-Backbone interact. energy: -0.352 local terms energy: -246.050556 where: bonds (distance) C4'-P energy: -43.866 bonds (distance) P-C4' energy: -64.905 flat angles C4'-P-C4' energy: -61.165 flat angles P-C4'-P energy: -36.779 tors. eta vs tors. theta energy: -39.335 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: 7 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -458.159297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.159297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.159297 (E_RNA) where: Base-Base interactions energy: -236.088 where: short stacking energy: -129.361 Base-Backbone interact. energy: -0.575 local terms energy: -221.495796 where: bonds (distance) C4'-P energy: -65.136 bonds (distance) P-C4' energy: -64.356 flat angles C4'-P-C4' energy: -44.852 flat angles P-C4'-P energy: -32.616 tors. eta vs tors. theta energy: -14.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -286.492600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.492600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.492600 (E_RNA) where: Base-Base interactions energy: -94.822 where: short stacking energy: -88.618 Base-Backbone interact. energy: -0.160 local terms energy: -191.511486 where: bonds (distance) C4'-P energy: -63.948 bonds (distance) P-C4' energy: -52.286 flat angles C4'-P-C4' energy: -59.855 flat angles P-C4'-P energy: -15.304 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1170.000364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.000364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.000364 (E_RNA) where: Base-Base interactions energy: -790.377 where: short stacking energy: -372.807 Base-Backbone interact. energy: -1.130 local terms energy: -378.492603 where: bonds (distance) C4'-P energy: -60.337 bonds (distance) P-C4' energy: -68.317 flat angles C4'-P-C4' energy: -74.997 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: -112.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1079.852914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.852914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.852914 (E_RNA) where: Base-Base interactions energy: -746.648 where: short stacking energy: -330.665 Base-Backbone interact. energy: 1.363 local terms energy: -334.568026 where: bonds (distance) C4'-P energy: -62.511 bonds (distance) P-C4' energy: -62.557 flat angles C4'-P-C4' energy: -72.681 flat angles P-C4'-P energy: -43.979 tors. eta vs tors. theta energy: -92.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1029.483907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.483907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.483907 (E_RNA) where: Base-Base interactions energy: -693.471 where: short stacking energy: -338.902 Base-Backbone interact. energy: 0.038 local terms energy: -336.051251 where: bonds (distance) C4'-P energy: -60.091 bonds (distance) P-C4' energy: -59.163 flat angles C4'-P-C4' energy: -74.656 flat angles P-C4'-P energy: -47.433 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: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1013.394397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.394397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.394397 (E_RNA) where: Base-Base interactions energy: -661.920 where: short stacking energy: -319.359 Base-Backbone interact. energy: -0.228 local terms energy: -351.245625 where: bonds (distance) C4'-P energy: -71.515 bonds (distance) P-C4' energy: -68.631 flat angles C4'-P-C4' energy: -77.382 flat angles P-C4'-P energy: -45.250 tors. eta vs tors. theta energy: -88.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -964.411419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.411419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.411419 (E_RNA) where: Base-Base interactions energy: -653.127 where: short stacking energy: -303.576 Base-Backbone interact. energy: -1.219 local terms energy: -310.065158 where: bonds (distance) C4'-P energy: -68.021 bonds (distance) P-C4' energy: -44.542 flat angles C4'-P-C4' energy: -65.600 flat angles P-C4'-P energy: -47.335 tors. eta vs tors. theta energy: -84.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -817.983004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.983004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.983004 (E_RNA) where: Base-Base interactions energy: -524.242 where: short stacking energy: -236.243 Base-Backbone interact. energy: -1.559 local terms energy: -292.182261 where: bonds (distance) C4'-P energy: -64.740 bonds (distance) P-C4' energy: -54.273 flat angles C4'-P-C4' energy: -69.306 flat angles P-C4'-P energy: -45.457 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: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -766.116090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.116090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.116090 (E_RNA) where: Base-Base interactions energy: -484.031 where: short stacking energy: -253.057 Base-Backbone interact. energy: -1.261 local terms energy: -280.824731 where: bonds (distance) C4'-P energy: -55.144 bonds (distance) P-C4' energy: -68.123 flat angles C4'-P-C4' energy: -55.325 flat angles P-C4'-P energy: -35.933 tors. eta vs tors. theta energy: -66.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -668.090858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.090858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.090858 (E_RNA) where: Base-Base interactions energy: -387.912 where: short stacking energy: -184.449 Base-Backbone interact. energy: -2.278 local terms energy: -277.901091 where: bonds (distance) C4'-P energy: -60.679 bonds (distance) P-C4' energy: -68.892 flat angles C4'-P-C4' energy: -60.919 flat angles P-C4'-P energy: -45.735 tors. eta vs tors. theta energy: -41.676 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: 7 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -456.120547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.120547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.120547 (E_RNA) where: Base-Base interactions energy: -252.328 where: short stacking energy: -141.384 Base-Backbone interact. energy: -1.990 local terms energy: -201.802290 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -57.041 flat angles C4'-P-C4' energy: -56.798 flat angles P-C4'-P energy: -33.877 tors. eta vs tors. theta energy: -2.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -262.793396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.793396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.793396 (E_RNA) where: Base-Base interactions energy: -72.129 where: short stacking energy: -63.190 Base-Backbone interact. energy: -0.706 local terms energy: -189.958490 where: bonds (distance) C4'-P energy: -63.538 bonds (distance) P-C4' energy: -60.103 flat angles C4'-P-C4' energy: -39.746 flat angles P-C4'-P energy: -35.798 tors. eta vs tors. theta energy: 9.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1161.793114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.793114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.793114 (E_RNA) where: Base-Base interactions energy: -777.436 where: short stacking energy: -368.965 Base-Backbone interact. energy: -0.763 local terms energy: -383.594124 where: bonds (distance) C4'-P energy: -66.467 bonds (distance) P-C4' energy: -67.941 flat angles C4'-P-C4' energy: -74.040 flat angles P-C4'-P energy: -60.461 tors. eta vs tors. theta energy: -114.685 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: 208 Temperature: 0.950000 Total energy: -1117.759478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.759478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.759478 (E_RNA) where: Base-Base interactions energy: -756.648 where: short stacking energy: -337.478 Base-Backbone interact. energy: -0.814 local terms energy: -360.297597 where: bonds (distance) C4'-P energy: -69.600 bonds (distance) P-C4' energy: -69.705 flat angles C4'-P-C4' energy: -79.509 flat angles P-C4'-P energy: -49.597 tors. eta vs tors. theta energy: -91.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1027.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.335961 (E_RNA) where: Base-Base interactions energy: -688.163 where: short stacking energy: -321.517 Base-Backbone interact. energy: -0.662 local terms energy: -338.510799 where: bonds (distance) C4'-P energy: -63.148 bonds (distance) P-C4' energy: -57.054 flat angles C4'-P-C4' energy: -78.002 flat angles P-C4'-P energy: -53.120 tors. eta vs tors. theta energy: -87.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -957.279455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.279455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.279455 (E_RNA) where: Base-Base interactions energy: -631.509 where: short stacking energy: -296.187 Base-Backbone interact. energy: -1.424 local terms energy: -324.346412 where: bonds (distance) C4'-P energy: -57.053 bonds (distance) P-C4' energy: -60.205 flat angles C4'-P-C4' energy: -73.770 flat angles P-C4'-P energy: -51.453 tors. eta vs tors. theta energy: -81.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -899.236974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.236974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.236974 (E_RNA) where: Base-Base interactions energy: -569.524 where: short stacking energy: -269.190 Base-Backbone interact. energy: -0.420 local terms energy: -329.293239 where: bonds (distance) C4'-P energy: -64.834 bonds (distance) P-C4' energy: -75.478 flat angles C4'-P-C4' energy: -74.178 flat angles P-C4'-P energy: -47.956 tors. eta vs tors. theta energy: -66.847 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: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -951.121696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.121696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.121696 (E_RNA) where: Base-Base interactions energy: -625.872 where: short stacking energy: -306.067 Base-Backbone interact. energy: -0.004 local terms energy: -325.245030 where: bonds (distance) C4'-P energy: -65.312 bonds (distance) P-C4' energy: -66.034 flat angles C4'-P-C4' energy: -66.774 flat angles P-C4'-P energy: -43.108 tors. eta vs tors. theta energy: -84.018 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: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -784.103399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.103399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.103399 (E_RNA) where: Base-Base interactions energy: -485.865 where: short stacking energy: -238.694 Base-Backbone interact. energy: -0.782 local terms energy: -297.456447 where: bonds (distance) C4'-P energy: -66.170 bonds (distance) P-C4' energy: -53.019 flat angles C4'-P-C4' energy: -70.577 flat angles P-C4'-P energy: -44.764 tors. eta vs tors. theta energy: -62.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -619.690248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.690248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.690248 (E_RNA) where: Base-Base interactions energy: -362.718 where: short stacking energy: -174.972 Base-Backbone interact. energy: 1.931 local terms energy: -258.903231 where: bonds (distance) C4'-P energy: -56.897 bonds (distance) P-C4' energy: -59.792 flat angles C4'-P-C4' energy: -60.034 flat angles P-C4'-P energy: -46.187 tors. eta vs tors. theta energy: -35.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -440.043451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.043451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.043451 (E_RNA) where: Base-Base interactions energy: -242.216 where: short stacking energy: -142.190 Base-Backbone interact. energy: -0.941 local terms energy: -196.886084 where: bonds (distance) C4'-P energy: -44.351 bonds (distance) P-C4' energy: -47.843 flat angles C4'-P-C4' energy: -60.392 flat angles P-C4'-P energy: -29.710 tors. eta vs tors. theta energy: -14.591 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: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -318.223404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.223404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.223404 (E_RNA) where: Base-Base interactions energy: -115.267 where: short stacking energy: -97.685 Base-Backbone interact. energy: -0.988 local terms energy: -201.968538 where: bonds (distance) C4'-P energy: -57.435 bonds (distance) P-C4' energy: -64.215 flat angles C4'-P-C4' energy: -51.590 flat angles P-C4'-P energy: -30.153 tors. eta vs tors. theta energy: 1.424 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: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1207.334933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.334933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.334933 (E_RNA) where: Base-Base interactions energy: -819.701 where: short stacking energy: -380.680 Base-Backbone interact. energy: -0.331 local terms energy: -387.302093 where: bonds (distance) C4'-P energy: -69.669 bonds (distance) P-C4' energy: -70.521 flat angles C4'-P-C4' energy: -80.735 flat angles P-C4'-P energy: -54.544 tors. eta vs tors. theta energy: -111.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1111.722008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.722008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.722008 (E_RNA) where: Base-Base interactions energy: -745.233 where: short stacking energy: -338.223 Base-Backbone interact. energy: -0.027 local terms energy: -366.462008 where: bonds (distance) C4'-P energy: -75.050 bonds (distance) P-C4' energy: -64.091 flat angles C4'-P-C4' energy: -77.074 flat angles P-C4'-P energy: -48.294 tors. eta vs tors. theta energy: -101.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1075.706388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.706388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.706388 (E_RNA) where: Base-Base interactions energy: -716.908 where: short stacking energy: -349.211 Base-Backbone interact. energy: -1.173 local terms energy: -357.625229 where: bonds (distance) C4'-P energy: -64.523 bonds (distance) P-C4' energy: -71.216 flat angles C4'-P-C4' energy: -69.613 flat angles P-C4'-P energy: -56.017 tors. eta vs tors. theta energy: -96.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -977.306060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.306060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.306060 (E_RNA) where: Base-Base interactions energy: -648.220 where: short stacking energy: -285.466 Base-Backbone interact. energy: -2.330 local terms energy: -326.756576 where: bonds (distance) C4'-P energy: -72.685 bonds (distance) P-C4' energy: -69.781 flat angles C4'-P-C4' energy: -72.159 flat angles P-C4'-P energy: -35.385 tors. eta vs tors. theta energy: -76.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -916.000780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.000780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.000780 (E_RNA) where: Base-Base interactions energy: -608.635 where: short stacking energy: -268.275 Base-Backbone interact. energy: -1.311 local terms energy: -306.055739 where: bonds (distance) C4'-P energy: -61.388 bonds (distance) P-C4' energy: -64.052 flat angles C4'-P-C4' energy: -69.060 flat angles P-C4'-P energy: -42.143 tors. eta vs tors. theta energy: -69.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -909.972152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.972152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.972152 (E_RNA) where: Base-Base interactions energy: -604.264 where: short stacking energy: -277.557 Base-Backbone interact. energy: -2.271 local terms energy: -303.436620 where: bonds (distance) C4'-P energy: -56.545 bonds (distance) P-C4' energy: -72.078 flat angles C4'-P-C4' energy: -65.544 flat angles P-C4'-P energy: -33.399 tors. eta vs tors. theta energy: -75.870 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: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -744.199682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.199682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.199682 (E_RNA) where: Base-Base interactions energy: -483.450 where: short stacking energy: -216.047 Base-Backbone interact. energy: 3.065 local terms energy: -263.814794 where: bonds (distance) C4'-P energy: -51.573 bonds (distance) P-C4' energy: -68.674 flat angles C4'-P-C4' energy: -62.700 flat angles P-C4'-P energy: -40.571 tors. eta vs tors. theta energy: -40.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -666.489685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.489685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.489685 (E_RNA) where: Base-Base interactions energy: -411.813 where: short stacking energy: -194.691 Base-Backbone interact. energy: -0.300 local terms energy: -254.377363 where: bonds (distance) C4'-P energy: -52.255 bonds (distance) P-C4' energy: -63.251 flat angles C4'-P-C4' energy: -61.880 flat angles P-C4'-P energy: -47.970 tors. eta vs tors. theta energy: -29.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -443.682974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.682974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.682974 (E_RNA) where: Base-Base interactions energy: -231.269 where: short stacking energy: -118.647 Base-Backbone interact. energy: -2.660 local terms energy: -209.754673 where: bonds (distance) C4'-P energy: -66.397 bonds (distance) P-C4' energy: -69.794 flat angles C4'-P-C4' energy: -50.258 flat angles P-C4'-P energy: -23.622 tors. eta vs tors. theta energy: 0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -307.595654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.595654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.595654 (E_RNA) where: Base-Base interactions energy: -112.538 where: short stacking energy: -85.736 Base-Backbone interact. energy: -1.612 local terms energy: -193.445878 where: bonds (distance) C4'-P energy: -46.711 bonds (distance) P-C4' energy: -55.309 flat angles C4'-P-C4' energy: -58.997 flat angles P-C4'-P energy: -33.677 tors. eta vs tors. theta energy: 1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1167.035194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.035194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.035194 (E_RNA) where: Base-Base interactions energy: -787.497 where: short stacking energy: -362.936 Base-Backbone interact. energy: -0.386 local terms energy: -379.151262 where: bonds (distance) C4'-P energy: -75.159 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -82.760 flat angles P-C4'-P energy: -45.285 tors. eta vs tors. theta energy: -109.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1162.483954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.483954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.483954 (E_RNA) where: Base-Base interactions energy: -786.300 where: short stacking energy: -377.319 Base-Backbone interact. energy: 1.506 local terms energy: -377.689545 where: bonds (distance) C4'-P energy: -69.193 bonds (distance) P-C4' energy: -62.127 flat angles C4'-P-C4' energy: -77.029 flat angles P-C4'-P energy: -52.911 tors. eta vs tors. theta energy: -116.429 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: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1057.821615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.821615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.821615 (E_RNA) where: Base-Base interactions energy: -698.996 where: short stacking energy: -323.913 Base-Backbone interact. energy: -0.431 local terms energy: -358.394999 where: bonds (distance) C4'-P energy: -67.434 bonds (distance) P-C4' energy: -64.145 flat angles C4'-P-C4' energy: -70.996 flat angles P-C4'-P energy: -54.812 tors. eta vs tors. theta energy: -101.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -969.663985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.663985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.663985 (E_RNA) where: Base-Base interactions energy: -653.895 where: short stacking energy: -314.671 Base-Backbone interact. energy: -1.827 local terms energy: -313.942192 where: bonds (distance) C4'-P energy: -61.684 bonds (distance) P-C4' energy: -55.630 flat angles C4'-P-C4' energy: -74.448 flat angles P-C4'-P energy: -42.956 tors. eta vs tors. theta energy: -79.223 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: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -900.558093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.558093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.558093 (E_RNA) where: Base-Base interactions energy: -599.142 where: short stacking energy: -275.833 Base-Backbone interact. energy: 0.447 local terms energy: -301.862954 where: bonds (distance) C4'-P energy: -57.914 bonds (distance) P-C4' energy: -65.610 flat angles C4'-P-C4' energy: -63.304 flat angles P-C4'-P energy: -39.750 tors. eta vs tors. theta energy: -75.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -875.649793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.649793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.649793 (E_RNA) where: Base-Base interactions energy: -556.545 where: short stacking energy: -260.426 Base-Backbone interact. energy: -0.540 local terms energy: -318.564314 where: bonds (distance) C4'-P energy: -53.681 bonds (distance) P-C4' energy: -66.568 flat angles C4'-P-C4' energy: -84.089 flat angles P-C4'-P energy: -43.074 tors. eta vs tors. theta energy: -71.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -714.296854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.296854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.296854 (E_RNA) where: Base-Base interactions energy: -452.688 where: short stacking energy: -216.655 Base-Backbone interact. energy: -0.758 local terms energy: -260.851341 where: bonds (distance) C4'-P energy: -60.301 bonds (distance) P-C4' energy: -64.424 flat angles C4'-P-C4' energy: -56.147 flat angles P-C4'-P energy: -32.287 tors. eta vs tors. theta energy: -47.692 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: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -699.674680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.674680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.674680 (E_RNA) where: Base-Base interactions energy: -422.538 where: short stacking energy: -207.235 Base-Backbone interact. energy: 0.639 local terms energy: -277.775648 where: bonds (distance) C4'-P energy: -55.357 bonds (distance) P-C4' energy: -67.038 flat angles C4'-P-C4' energy: -68.254 flat angles P-C4'-P energy: -36.605 tors. eta vs tors. theta energy: -50.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -427.788956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.788956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.788956 (E_RNA) where: Base-Base interactions energy: -226.852 where: short stacking energy: -125.603 Base-Backbone interact. energy: -0.116 local terms energy: -200.820956 where: bonds (distance) C4'-P energy: -49.157 bonds (distance) P-C4' energy: -50.779 flat angles C4'-P-C4' energy: -60.586 flat angles P-C4'-P energy: -34.187 tors. eta vs tors. theta energy: -6.113 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: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -295.903943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.903943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.903943 (E_RNA) where: Base-Base interactions energy: -119.988 where: short stacking energy: -93.031 Base-Backbone interact. energy: 2.861 local terms energy: -178.777132 where: bonds (distance) C4'-P energy: -45.022 bonds (distance) P-C4' energy: -59.066 flat angles C4'-P-C4' energy: -48.469 flat angles P-C4'-P energy: -37.227 tors. eta vs tors. theta energy: 11.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1143.945772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.945772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.945772 (E_RNA) where: Base-Base interactions energy: -772.892 where: short stacking energy: -346.382 Base-Backbone interact. energy: -0.572 local terms energy: -370.481677 where: bonds (distance) C4'-P energy: -64.946 bonds (distance) P-C4' energy: -69.885 flat angles C4'-P-C4' energy: -72.650 flat angles P-C4'-P energy: -54.157 tors. eta vs tors. theta energy: -108.845 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: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1160.127254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.127254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.127254 (E_RNA) where: Base-Base interactions energy: -794.529 where: short stacking energy: -371.841 Base-Backbone interact. energy: -1.080 local terms energy: -364.519021 where: bonds (distance) C4'-P energy: -64.959 bonds (distance) P-C4' energy: -66.318 flat angles C4'-P-C4' energy: -74.624 flat angles P-C4'-P energy: -46.415 tors. eta vs tors. theta energy: -112.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1058.802129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.802129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.802129 (E_RNA) where: Base-Base interactions energy: -695.613 where: short stacking energy: -338.086 Base-Backbone interact. energy: -0.464 local terms energy: -362.725603 where: bonds (distance) C4'-P energy: -64.563 bonds (distance) P-C4' energy: -67.165 flat angles C4'-P-C4' energy: -76.520 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -96.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -980.438206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.438206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.438206 (E_RNA) where: Base-Base interactions energy: -644.463 where: short stacking energy: -296.346 Base-Backbone interact. energy: 3.538 local terms energy: -339.513318 where: bonds (distance) C4'-P energy: -73.757 bonds (distance) P-C4' energy: -68.885 flat angles C4'-P-C4' energy: -63.173 flat angles P-C4'-P energy: -48.695 tors. eta vs tors. theta energy: -85.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -905.288722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.288722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.288722 (E_RNA) where: Base-Base interactions energy: -606.252 where: short stacking energy: -287.021 Base-Backbone interact. energy: -1.524 local terms energy: -297.513143 where: bonds (distance) C4'-P energy: -63.682 bonds (distance) P-C4' energy: -59.808 flat angles C4'-P-C4' energy: -63.966 flat angles P-C4'-P energy: -38.114 tors. eta vs tors. theta energy: -71.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -870.681404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.681404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.681404 (E_RNA) where: Base-Base interactions energy: -574.113 where: short stacking energy: -257.648 Base-Backbone interact. energy: 3.386 local terms energy: -299.954121 where: bonds (distance) C4'-P energy: -57.954 bonds (distance) P-C4' energy: -67.589 flat angles C4'-P-C4' energy: -58.559 flat angles P-C4'-P energy: -37.009 tors. eta vs tors. theta energy: -78.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -729.526989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.526989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.526989 (E_RNA) where: Base-Base interactions energy: -455.328 where: short stacking energy: -206.110 Base-Backbone interact. energy: -0.579 local terms energy: -273.619906 where: bonds (distance) C4'-P energy: -56.389 bonds (distance) P-C4' energy: -62.461 flat angles C4'-P-C4' energy: -67.702 flat angles P-C4'-P energy: -41.829 tors. eta vs tors. theta energy: -45.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -681.394311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.394311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.394311 (E_RNA) where: Base-Base interactions energy: -413.261 where: short stacking energy: -218.662 Base-Backbone interact. energy: -0.381 local terms energy: -267.752644 where: bonds (distance) C4'-P energy: -48.796 bonds (distance) P-C4' energy: -64.112 flat angles C4'-P-C4' energy: -62.285 flat angles P-C4'-P energy: -39.781 tors. eta vs tors. theta energy: -52.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -458.674274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.674274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.674274 (E_RNA) where: Base-Base interactions energy: -247.691 where: short stacking energy: -162.827 Base-Backbone interact. energy: -0.933 local terms energy: -210.049923 where: bonds (distance) C4'-P energy: -57.650 bonds (distance) P-C4' energy: -57.967 flat angles C4'-P-C4' energy: -55.327 flat angles P-C4'-P energy: -21.123 tors. eta vs tors. theta energy: -17.982 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: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -301.094612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.094612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.094612 (E_RNA) where: Base-Base interactions energy: -103.431 where: short stacking energy: -89.224 Base-Backbone interact. energy: -0.815 local terms energy: -196.848968 where: bonds (distance) C4'-P energy: -45.901 bonds (distance) P-C4' energy: -63.395 flat angles C4'-P-C4' energy: -50.671 flat angles P-C4'-P energy: -30.306 tors. eta vs tors. theta energy: -6.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1182.443511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.443511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.443511 (E_RNA) where: Base-Base interactions energy: -812.973 where: short stacking energy: -369.774 Base-Backbone interact. energy: -1.197 local terms energy: -368.273305 where: bonds (distance) C4'-P energy: -71.927 bonds (distance) P-C4' energy: -64.063 flat angles C4'-P-C4' energy: -77.694 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -107.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1148.118162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.118162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.118162 (E_RNA) where: Base-Base interactions energy: -770.379 where: short stacking energy: -354.960 Base-Backbone interact. energy: -1.436 local terms energy: -376.303644 where: bonds (distance) C4'-P energy: -63.432 bonds (distance) P-C4' energy: -72.161 flat angles C4'-P-C4' energy: -75.179 flat angles P-C4'-P energy: -58.328 tors. eta vs tors. theta energy: -107.205 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: 4 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1064.636117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.636117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.636117 (E_RNA) where: Base-Base interactions energy: -721.296 where: short stacking energy: -345.815 Base-Backbone interact. energy: -0.526 local terms energy: -342.814061 where: bonds (distance) C4'-P energy: -69.055 bonds (distance) P-C4' energy: -49.325 flat angles C4'-P-C4' energy: -73.454 flat angles P-C4'-P energy: -53.191 tors. eta vs tors. theta energy: -97.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -960.268471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.268471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.268471 (E_RNA) where: Base-Base interactions energy: -624.600 where: short stacking energy: -304.295 Base-Backbone interact. energy: -0.790 local terms energy: -334.878365 where: bonds (distance) C4'-P energy: -58.676 bonds (distance) P-C4' energy: -67.416 flat angles C4'-P-C4' energy: -75.958 flat angles P-C4'-P energy: -43.545 tors. eta vs tors. theta energy: -89.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -971.055657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.055657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.055657 (E_RNA) where: Base-Base interactions energy: -663.069 where: short stacking energy: -310.894 Base-Backbone interact. energy: 2.105 local terms energy: -310.092295 where: bonds (distance) C4'-P energy: -61.121 bonds (distance) P-C4' energy: -51.766 flat angles C4'-P-C4' energy: -74.812 flat angles P-C4'-P energy: -31.892 tors. eta vs tors. theta energy: -90.501 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: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -867.677458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.677458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.677458 (E_RNA) where: Base-Base interactions energy: -550.588 where: short stacking energy: -259.390 Base-Backbone interact. energy: -0.083 local terms energy: -317.006263 where: bonds (distance) C4'-P energy: -63.858 bonds (distance) P-C4' energy: -63.319 flat angles C4'-P-C4' energy: -59.756 flat angles P-C4'-P energy: -51.033 tors. eta vs tors. theta energy: -79.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -726.374946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.374946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.374946 (E_RNA) where: Base-Base interactions energy: -446.777 where: short stacking energy: -256.871 Base-Backbone interact. energy: -0.843 local terms energy: -278.755324 where: bonds (distance) C4'-P energy: -54.168 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -66.113 flat angles P-C4'-P energy: -33.139 tors. eta vs tors. theta energy: -63.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -734.615946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.615946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.615946 (E_RNA) where: Base-Base interactions energy: -453.972 where: short stacking energy: -217.974 Base-Backbone interact. energy: -0.237 local terms energy: -280.406833 where: bonds (distance) C4'-P energy: -61.984 bonds (distance) P-C4' energy: -63.902 flat angles C4'-P-C4' energy: -51.944 flat angles P-C4'-P energy: -46.615 tors. eta vs tors. theta energy: -55.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -455.793073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.793073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.793073 (E_RNA) where: Base-Base interactions energy: -253.952 where: short stacking energy: -158.790 Base-Backbone interact. energy: 0.020 local terms energy: -201.861112 where: bonds (distance) C4'-P energy: -58.783 bonds (distance) P-C4' energy: -44.961 flat angles C4'-P-C4' energy: -52.740 flat angles P-C4'-P energy: -38.407 tors. eta vs tors. theta energy: -6.970 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: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -314.940003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.940003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.940003 (E_RNA) where: Base-Base interactions energy: -116.395 where: short stacking energy: -88.808 Base-Backbone interact. energy: -1.757 local terms energy: -196.787898 where: bonds (distance) C4'-P energy: -60.388 bonds (distance) P-C4' energy: -47.460 flat angles C4'-P-C4' energy: -56.813 flat angles P-C4'-P energy: -34.738 tors. eta vs tors. theta energy: 2.611 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: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1164.966960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.966960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.966960 (E_RNA) where: Base-Base interactions energy: -795.556 where: short stacking energy: -358.050 Base-Backbone interact. energy: -0.624 local terms energy: -368.787096 where: bonds (distance) C4'-P energy: -65.719 bonds (distance) P-C4' energy: -67.000 flat angles C4'-P-C4' energy: -79.326 flat angles P-C4'-P energy: -45.237 tors. eta vs tors. theta energy: -111.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1120.210979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.210979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.210979 (E_RNA) where: Base-Base interactions energy: -767.031 where: short stacking energy: -344.128 Base-Backbone interact. energy: -1.422 local terms energy: -351.758555 where: bonds (distance) C4'-P energy: -70.449 bonds (distance) P-C4' energy: -71.374 flat angles C4'-P-C4' energy: -74.242 flat angles P-C4'-P energy: -40.099 tors. eta vs tors. theta energy: -95.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1066.054994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.054994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.054994 (E_RNA) where: Base-Base interactions energy: -704.645 where: short stacking energy: -319.428 Base-Backbone interact. energy: -0.284 local terms energy: -361.126482 where: bonds (distance) C4'-P energy: -70.220 bonds (distance) P-C4' energy: -73.755 flat angles C4'-P-C4' energy: -67.912 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: -104.588 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: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -996.835364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.835364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.835364 (E_RNA) where: Base-Base interactions energy: -676.571 where: short stacking energy: -301.267 Base-Backbone interact. energy: 0.152 local terms energy: -320.415475 where: bonds (distance) C4'-P energy: -66.238 bonds (distance) P-C4' energy: -63.180 flat angles C4'-P-C4' energy: -68.533 flat angles P-C4'-P energy: -37.811 tors. eta vs tors. theta energy: -84.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -981.060122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.060122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.060122 (E_RNA) where: Base-Base interactions energy: -652.091 where: short stacking energy: -311.481 Base-Backbone interact. energy: 1.412 local terms energy: -330.380832 where: bonds (distance) C4'-P energy: -62.378 bonds (distance) P-C4' energy: -63.332 flat angles C4'-P-C4' energy: -82.479 flat angles P-C4'-P energy: -40.556 tors. eta vs tors. theta energy: -81.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -879.025137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.025137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.025137 (E_RNA) where: Base-Base interactions energy: -575.088 where: short stacking energy: -267.271 Base-Backbone interact. energy: 1.289 local terms energy: -305.226244 where: bonds (distance) C4'-P energy: -59.878 bonds (distance) P-C4' energy: -58.595 flat angles C4'-P-C4' energy: -72.517 flat angles P-C4'-P energy: -42.125 tors. eta vs tors. theta energy: -72.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -721.042994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.042994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.042994 (E_RNA) where: Base-Base interactions energy: -431.103 where: short stacking energy: -215.486 Base-Backbone interact. energy: -1.432 local terms energy: -288.507934 where: bonds (distance) C4'-P energy: -70.006 bonds (distance) P-C4' energy: -62.310 flat angles C4'-P-C4' energy: -60.150 flat angles P-C4'-P energy: -40.700 tors. eta vs tors. theta energy: -55.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -736.013743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.013743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.013743 (E_RNA) where: Base-Base interactions energy: -471.210 where: short stacking energy: -224.806 Base-Backbone interact. energy: -1.429 local terms energy: -263.374576 where: bonds (distance) C4'-P energy: -60.605 bonds (distance) P-C4' energy: -62.748 flat angles C4'-P-C4' energy: -59.914 flat angles P-C4'-P energy: -37.537 tors. eta vs tors. theta energy: -42.571 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: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -415.789268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.789268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.789268 (E_RNA) where: Base-Base interactions energy: -213.402 where: short stacking energy: -116.314 Base-Backbone interact. energy: -0.609 local terms energy: -201.777752 where: bonds (distance) C4'-P energy: -52.876 bonds (distance) P-C4' energy: -74.510 flat angles C4'-P-C4' energy: -42.970 flat angles P-C4'-P energy: -29.601 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -300.251324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.251324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.251324 (E_RNA) where: Base-Base interactions energy: -91.205 where: short stacking energy: -81.664 Base-Backbone interact. energy: -0.532 local terms energy: -208.515089 where: bonds (distance) C4'-P energy: -66.815 bonds (distance) P-C4' energy: -62.807 flat angles C4'-P-C4' energy: -48.857 flat angles P-C4'-P energy: -37.449 tors. eta vs tors. theta energy: 7.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1172.387471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.387471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.387471 (E_RNA) where: Base-Base interactions energy: -798.566 where: short stacking energy: -348.585 Base-Backbone interact. energy: -0.595 local terms energy: -373.225871 where: bonds (distance) C4'-P energy: -68.212 bonds (distance) P-C4' energy: -66.286 flat angles C4'-P-C4' energy: -77.755 flat angles P-C4'-P energy: -49.233 tors. eta vs tors. theta energy: -111.740 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: 2, replica: 1 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1153.295070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.295070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.295070 (E_RNA) where: Base-Base interactions energy: -792.427 where: short stacking energy: -361.586 Base-Backbone interact. energy: -0.466 local terms energy: -360.402631 where: bonds (distance) C4'-P energy: -64.274 bonds (distance) P-C4' energy: -73.600 flat angles C4'-P-C4' energy: -70.967 flat angles P-C4'-P energy: -51.858 tors. eta vs tors. theta energy: -99.703 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: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1076.869030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.869030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.869030 (E_RNA) where: Base-Base interactions energy: -714.929 where: short stacking energy: -344.723 Base-Backbone interact. energy: -0.472 local terms energy: -361.468394 where: bonds (distance) C4'-P energy: -67.851 bonds (distance) P-C4' energy: -70.803 flat angles C4'-P-C4' energy: -72.658 flat angles P-C4'-P energy: -46.138 tors. eta vs tors. theta energy: -104.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1043.618367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.618367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.618367 (E_RNA) where: Base-Base interactions energy: -707.747 where: short stacking energy: -330.525 Base-Backbone interact. energy: -1.763 local terms energy: -334.108942 where: bonds (distance) C4'-P energy: -72.226 bonds (distance) P-C4' energy: -61.718 flat angles C4'-P-C4' energy: -70.408 flat angles P-C4'-P energy: -41.866 tors. eta vs tors. theta energy: -87.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -954.127045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.127045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.127045 (E_RNA) where: Base-Base interactions energy: -619.665 where: short stacking energy: -289.491 Base-Backbone interact. energy: -0.502 local terms energy: -333.960170 where: bonds (distance) C4'-P energy: -73.855 bonds (distance) P-C4' energy: -62.519 flat angles C4'-P-C4' energy: -73.387 flat angles P-C4'-P energy: -46.200 tors. eta vs tors. theta energy: -77.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -840.963690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.963690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.963690 (E_RNA) where: Base-Base interactions energy: -571.411 where: short stacking energy: -259.334 Base-Backbone interact. energy: -1.807 local terms energy: -267.745661 where: bonds (distance) C4'-P energy: -57.159 bonds (distance) P-C4' energy: -53.064 flat angles C4'-P-C4' energy: -63.409 flat angles P-C4'-P energy: -40.020 tors. eta vs tors. theta energy: -54.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -768.028620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.028620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.028620 (E_RNA) where: Base-Base interactions energy: -485.442 where: short stacking energy: -225.709 Base-Backbone interact. energy: -0.477 local terms energy: -282.108845 where: bonds (distance) C4'-P energy: -59.218 bonds (distance) P-C4' energy: -52.306 flat angles C4'-P-C4' energy: -67.355 flat angles P-C4'-P energy: -46.605 tors. eta vs tors. theta energy: -56.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -689.738157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.738157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.738157 (E_RNA) where: Base-Base interactions energy: -425.852 where: short stacking energy: -219.218 Base-Backbone interact. energy: -0.193 local terms energy: -263.693000 where: bonds (distance) C4'-P energy: -53.647 bonds (distance) P-C4' energy: -58.685 flat angles C4'-P-C4' energy: -58.662 flat angles P-C4'-P energy: -35.828 tors. eta vs tors. theta energy: -56.871 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: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -443.740511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.740511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.740511 (E_RNA) where: Base-Base interactions energy: -221.492 where: short stacking energy: -130.604 Base-Backbone interact. energy: 0.530 local terms energy: -222.777870 where: bonds (distance) C4'-P energy: -61.872 bonds (distance) P-C4' energy: -62.944 flat angles C4'-P-C4' energy: -49.279 flat angles P-C4'-P energy: -32.211 tors. eta vs tors. theta energy: -16.472 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: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -288.326628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.326628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.326628 (E_RNA) where: Base-Base interactions energy: -91.951 where: short stacking energy: -73.218 Base-Backbone interact. energy: 2.625 local terms energy: -199.000425 where: bonds (distance) C4'-P energy: -67.026 bonds (distance) P-C4' energy: -70.550 flat angles C4'-P-C4' energy: -53.344 flat angles P-C4'-P energy: -20.803 tors. eta vs tors. theta energy: 12.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1175.882327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.882327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.882327 (E_RNA) where: Base-Base interactions energy: -786.249 where: short stacking energy: -356.435 Base-Backbone interact. energy: -1.217 local terms energy: -388.416264 where: bonds (distance) C4'-P energy: -70.365 bonds (distance) P-C4' energy: -74.503 flat angles C4'-P-C4' energy: -83.885 flat angles P-C4'-P energy: -54.605 tors. eta vs tors. theta energy: -105.058 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: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1162.702554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.702554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.702554 (E_RNA) where: Base-Base interactions energy: -784.798 where: short stacking energy: -358.597 Base-Backbone interact. energy: -1.057 local terms energy: -376.848065 where: bonds (distance) C4'-P energy: -66.067 bonds (distance) P-C4' energy: -75.835 flat angles C4'-P-C4' energy: -84.514 flat angles P-C4'-P energy: -43.618 tors. eta vs tors. theta energy: -106.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1072.336065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.336065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.336065 (E_RNA) where: Base-Base interactions energy: -697.779 where: short stacking energy: -347.715 Base-Backbone interact. energy: 0.022 local terms energy: -374.579344 where: bonds (distance) C4'-P energy: -63.816 bonds (distance) P-C4' energy: -76.044 flat angles C4'-P-C4' energy: -85.073 flat angles P-C4'-P energy: -46.478 tors. eta vs tors. theta energy: -103.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1068.656868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.656868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.656868 (E_RNA) where: Base-Base interactions energy: -736.593 where: short stacking energy: -332.284 Base-Backbone interact. energy: -1.192 local terms energy: -330.872420 where: bonds (distance) C4'-P energy: -59.622 bonds (distance) P-C4' energy: -60.816 flat angles C4'-P-C4' energy: -71.154 flat angles P-C4'-P energy: -44.315 tors. eta vs tors. theta energy: -94.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -923.643595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.643595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.643595 (E_RNA) where: Base-Base interactions energy: -600.307 where: short stacking energy: -290.849 Base-Backbone interact. energy: -1.335 local terms energy: -322.000899 where: bonds (distance) C4'-P energy: -65.160 bonds (distance) P-C4' energy: -68.742 flat angles C4'-P-C4' energy: -74.751 flat angles P-C4'-P energy: -46.297 tors. eta vs tors. theta energy: -67.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -840.367114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.367114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.367114 (E_RNA) where: Base-Base interactions energy: -557.732 where: short stacking energy: -247.595 Base-Backbone interact. energy: -0.948 local terms energy: -281.687664 where: bonds (distance) C4'-P energy: -61.903 bonds (distance) P-C4' energy: -60.442 flat angles C4'-P-C4' energy: -67.326 flat angles P-C4'-P energy: -36.498 tors. eta vs tors. theta energy: -55.518 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: 9 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -767.094365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.094365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.094365 (E_RNA) where: Base-Base interactions energy: -502.785 where: short stacking energy: -213.738 Base-Backbone interact. energy: -2.665 local terms energy: -261.644834 where: bonds (distance) C4'-P energy: -62.433 bonds (distance) P-C4' energy: -62.612 flat angles C4'-P-C4' energy: -49.007 flat angles P-C4'-P energy: -38.542 tors. eta vs tors. theta energy: -49.051 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: 215 Temperature: 1.250000 Total energy: -670.851422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.851422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.851422 (E_RNA) where: Base-Base interactions energy: -424.352 where: short stacking energy: -213.619 Base-Backbone interact. energy: -0.034 local terms energy: -246.465729 where: bonds (distance) C4'-P energy: -60.769 bonds (distance) P-C4' energy: -52.121 flat angles C4'-P-C4' energy: -61.663 flat angles P-C4'-P energy: -31.797 tors. eta vs tors. theta energy: -40.116 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: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -412.833292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.833292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.833292 (E_RNA) where: Base-Base interactions energy: -225.819 where: short stacking energy: -125.807 Base-Backbone interact. energy: -1.470 local terms energy: -185.544611 where: bonds (distance) C4'-P energy: -48.160 bonds (distance) P-C4' energy: -59.709 flat angles C4'-P-C4' energy: -55.343 flat angles P-C4'-P energy: -15.687 tors. eta vs tors. theta energy: -6.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -277.290502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.290502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.290502 (E_RNA) where: Base-Base interactions energy: -105.879 where: short stacking energy: -61.671 Base-Backbone interact. energy: 1.317 local terms energy: -172.729256 where: bonds (distance) C4'-P energy: -60.779 bonds (distance) P-C4' energy: -58.727 flat angles C4'-P-C4' energy: -44.441 flat angles P-C4'-P energy: -33.897 tors. eta vs tors. theta energy: 25.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1175.151528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.151528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.151528 (E_RNA) where: Base-Base interactions energy: -806.124 where: short stacking energy: -366.031 Base-Backbone interact. energy: 1.553 local terms energy: -370.580770 where: bonds (distance) C4'-P energy: -71.934 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -84.048 flat angles P-C4'-P energy: -44.325 tors. eta vs tors. theta energy: -110.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1160.748529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.748529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.748529 (E_RNA) where: Base-Base interactions energy: -796.650 where: short stacking energy: -374.371 Base-Backbone interact. energy: 3.380 local terms energy: -367.479164 where: bonds (distance) C4'-P energy: -54.718 bonds (distance) P-C4' energy: -67.106 flat angles C4'-P-C4' energy: -84.748 flat angles P-C4'-P energy: -51.794 tors. eta vs tors. theta energy: -109.114 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: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1063.642992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.642992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.642992 (E_RNA) where: Base-Base interactions energy: -710.134 where: short stacking energy: -338.127 Base-Backbone interact. energy: -0.387 local terms energy: -353.122179 where: bonds (distance) C4'-P energy: -67.197 bonds (distance) P-C4' energy: -66.086 flat angles C4'-P-C4' energy: -77.638 flat angles P-C4'-P energy: -45.736 tors. eta vs tors. theta energy: -96.465 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: 216 Temperature: 1.050000 Total energy: -1023.028340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.028340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.028340 (E_RNA) where: Base-Base interactions energy: -688.280 where: short stacking energy: -313.538 Base-Backbone interact. energy: -0.511 local terms energy: -334.237273 where: bonds (distance) C4'-P energy: -65.413 bonds (distance) P-C4' energy: -77.222 flat angles C4'-P-C4' energy: -65.594 flat angles P-C4'-P energy: -42.832 tors. eta vs tors. theta energy: -83.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -926.775474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.775474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.775474 (E_RNA) where: Base-Base interactions energy: -598.918 where: short stacking energy: -280.183 Base-Backbone interact. energy: 1.446 local terms energy: -329.303276 where: bonds (distance) C4'-P energy: -63.962 bonds (distance) P-C4' energy: -58.028 flat angles C4'-P-C4' energy: -76.618 flat angles P-C4'-P energy: -48.129 tors. eta vs tors. theta energy: -82.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -869.480896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.480896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.480896 (E_RNA) where: Base-Base interactions energy: -565.002 where: short stacking energy: -255.689 Base-Backbone interact. energy: -2.537 local terms energy: -301.942128 where: bonds (distance) C4'-P energy: -65.281 bonds (distance) P-C4' energy: -70.509 flat angles C4'-P-C4' energy: -64.495 flat angles P-C4'-P energy: -39.834 tors. eta vs tors. theta energy: -61.824 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: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -762.360247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.360247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.360247 (E_RNA) where: Base-Base interactions energy: -479.536 where: short stacking energy: -218.868 Base-Backbone interact. energy: 0.920 local terms energy: -283.744929 where: bonds (distance) C4'-P energy: -54.503 bonds (distance) P-C4' energy: -70.967 flat angles C4'-P-C4' energy: -65.788 flat angles P-C4'-P energy: -41.715 tors. eta vs tors. theta energy: -50.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -669.868651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.868651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.868651 (E_RNA) where: Base-Base interactions energy: -416.134 where: short stacking energy: -209.564 Base-Backbone interact. energy: -2.068 local terms energy: -251.667015 where: bonds (distance) C4'-P energy: -58.083 bonds (distance) P-C4' energy: -64.889 flat angles C4'-P-C4' energy: -55.229 flat angles P-C4'-P energy: -27.694 tors. eta vs tors. theta energy: -45.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -425.506689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.506689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.506689 (E_RNA) where: Base-Base interactions energy: -200.300 where: short stacking energy: -131.705 Base-Backbone interact. energy: -2.206 local terms energy: -223.000481 where: bonds (distance) C4'-P energy: -55.144 bonds (distance) P-C4' energy: -60.592 flat angles C4'-P-C4' energy: -49.776 flat angles P-C4'-P energy: -42.387 tors. eta vs tors. theta energy: -15.101 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: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -306.951533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.951533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.951533 (E_RNA) where: Base-Base interactions energy: -111.549 where: short stacking energy: -95.281 Base-Backbone interact. energy: -0.056 local terms energy: -195.346460 where: bonds (distance) C4'-P energy: -60.261 bonds (distance) P-C4' energy: -46.329 flat angles C4'-P-C4' energy: -52.454 flat angles P-C4'-P energy: -39.169 tors. eta vs tors. theta energy: 2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1142.526584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.526584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.526584 (E_RNA) where: Base-Base interactions energy: -782.189 where: short stacking energy: -354.627 Base-Backbone interact. energy: -1.175 local terms energy: -359.162995 where: bonds (distance) C4'-P energy: -65.943 bonds (distance) P-C4' energy: -63.158 flat angles C4'-P-C4' energy: -83.108 flat angles P-C4'-P energy: -50.603 tors. eta vs tors. theta energy: -96.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1156.818705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.818705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.818705 (E_RNA) where: Base-Base interactions energy: -800.825 where: short stacking energy: -370.429 Base-Backbone interact. energy: -1.513 local terms energy: -354.480985 where: bonds (distance) C4'-P energy: -66.813 bonds (distance) P-C4' energy: -62.099 flat angles C4'-P-C4' energy: -75.022 flat angles P-C4'-P energy: -41.770 tors. eta vs tors. theta energy: -108.778 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: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1074.648983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.648983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.648983 (E_RNA) where: Base-Base interactions energy: -722.279 where: short stacking energy: -348.918 Base-Backbone interact. energy: -0.422 local terms energy: -351.948345 where: bonds (distance) C4'-P energy: -72.650 bonds (distance) P-C4' energy: -65.166 flat angles C4'-P-C4' energy: -68.084 flat angles P-C4'-P energy: -43.537 tors. eta vs tors. theta energy: -102.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1029.240811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.240811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.240811 (E_RNA) where: Base-Base interactions energy: -686.568 where: short stacking energy: -316.059 Base-Backbone interact. energy: -1.853 local terms energy: -340.819792 where: bonds (distance) C4'-P energy: -66.286 bonds (distance) P-C4' energy: -67.731 flat angles C4'-P-C4' energy: -62.867 flat angles P-C4'-P energy: -53.219 tors. eta vs tors. theta energy: -90.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -912.138282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.138282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.138282 (E_RNA) where: Base-Base interactions energy: -602.334 where: short stacking energy: -275.140 Base-Backbone interact. energy: 0.049 local terms energy: -309.853784 where: bonds (distance) C4'-P energy: -56.974 bonds (distance) P-C4' energy: -69.324 flat angles C4'-P-C4' energy: -69.858 flat angles P-C4'-P energy: -47.245 tors. eta vs tors. theta energy: -66.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -902.029914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.029914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.029914 (E_RNA) where: Base-Base interactions energy: -600.382 where: short stacking energy: -265.198 Base-Backbone interact. energy: -1.159 local terms energy: -300.489695 where: bonds (distance) C4'-P energy: -46.358 bonds (distance) P-C4' energy: -64.128 flat angles C4'-P-C4' energy: -66.003 flat angles P-C4'-P energy: -40.821 tors. eta vs tors. theta energy: -83.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -752.437667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.437667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.437667 (E_RNA) where: Base-Base interactions energy: -479.394 where: short stacking energy: -241.520 Base-Backbone interact. energy: -2.700 local terms energy: -270.344361 where: bonds (distance) C4'-P energy: -52.523 bonds (distance) P-C4' energy: -60.338 flat angles C4'-P-C4' energy: -68.257 flat angles P-C4'-P energy: -46.129 tors. eta vs tors. theta energy: -43.097 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: 217 Temperature: 1.250000 Total energy: -655.428854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.428854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.428854 (E_RNA) where: Base-Base interactions energy: -372.817 where: short stacking energy: -191.427 Base-Backbone interact. energy: 0.026 local terms energy: -282.638515 where: bonds (distance) C4'-P energy: -58.500 bonds (distance) P-C4' energy: -76.038 flat angles C4'-P-C4' energy: -70.033 flat angles P-C4'-P energy: -45.645 tors. eta vs tors. theta energy: -32.423 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: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -433.161798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.161798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.161798 (E_RNA) where: Base-Base interactions energy: -209.011 where: short stacking energy: -127.157 Base-Backbone interact. energy: 0.328 local terms energy: -224.478548 where: bonds (distance) C4'-P energy: -65.950 bonds (distance) P-C4' energy: -68.333 flat angles C4'-P-C4' energy: -45.960 flat angles P-C4'-P energy: -36.530 tors. eta vs tors. theta energy: -7.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -284.971993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.971993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.971993 (E_RNA) where: Base-Base interactions energy: -129.702 where: short stacking energy: -99.891 Base-Backbone interact. energy: 0.370 local terms energy: -155.639697 where: bonds (distance) C4'-P energy: -41.678 bonds (distance) P-C4' energy: -57.100 flat angles C4'-P-C4' energy: -32.950 flat angles P-C4'-P energy: -29.804 tors. eta vs tors. theta energy: 5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1163.084452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.084452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.084452 (E_RNA) where: Base-Base interactions energy: -787.212 where: short stacking energy: -360.472 Base-Backbone interact. energy: 3.045 local terms energy: -378.917000 where: bonds (distance) C4'-P energy: -77.885 bonds (distance) P-C4' energy: -70.221 flat angles C4'-P-C4' energy: -78.417 flat angles P-C4'-P energy: -43.442 tors. eta vs tors. theta energy: -108.951 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: 1 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1179.722920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.722920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.722920 (E_RNA) where: Base-Base interactions energy: -798.062 where: short stacking energy: -372.126 Base-Backbone interact. energy: -0.926 local terms energy: -380.734784 where: bonds (distance) C4'-P energy: -69.842 bonds (distance) P-C4' energy: -64.830 flat angles C4'-P-C4' energy: -77.095 flat angles P-C4'-P energy: -59.321 tors. eta vs tors. theta energy: -109.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1046.573754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.573754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.573754 (E_RNA) where: Base-Base interactions energy: -694.386 where: short stacking energy: -343.961 Base-Backbone interact. energy: -0.590 local terms energy: -351.597967 where: bonds (distance) C4'-P energy: -58.879 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -75.724 flat angles P-C4'-P energy: -48.758 tors. eta vs tors. theta energy: -99.656 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: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1007.582394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.582394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.582394 (E_RNA) where: Base-Base interactions energy: -678.999 where: short stacking energy: -310.499 Base-Backbone interact. energy: 0.796 local terms energy: -329.380036 where: bonds (distance) C4'-P energy: -65.096 bonds (distance) P-C4' energy: -58.976 flat angles C4'-P-C4' energy: -69.362 flat angles P-C4'-P energy: -47.103 tors. eta vs tors. theta energy: -88.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -939.617159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.617159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.617159 (E_RNA) where: Base-Base interactions energy: -617.305 where: short stacking energy: -282.431 Base-Backbone interact. energy: -1.771 local terms energy: -320.540596 where: bonds (distance) C4'-P energy: -53.448 bonds (distance) P-C4' energy: -72.848 flat angles C4'-P-C4' energy: -64.658 flat angles P-C4'-P energy: -43.925 tors. eta vs tors. theta energy: -85.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -885.473744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.473744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.473744 (E_RNA) where: Base-Base interactions energy: -585.552 where: short stacking energy: -265.158 Base-Backbone interact. energy: -1.673 local terms energy: -298.248783 where: bonds (distance) C4'-P energy: -56.354 bonds (distance) P-C4' energy: -62.210 flat angles C4'-P-C4' energy: -64.778 flat angles P-C4'-P energy: -45.422 tors. eta vs tors. theta energy: -69.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -671.466732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.466732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.466732 (E_RNA) where: Base-Base interactions energy: -420.943 where: short stacking energy: -209.845 Base-Backbone interact. energy: 0.688 local terms energy: -251.211739 where: bonds (distance) C4'-P energy: -59.455 bonds (distance) P-C4' energy: -57.923 flat angles C4'-P-C4' energy: -51.599 flat angles P-C4'-P energy: -35.428 tors. eta vs tors. theta energy: -46.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -758.958033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.958033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.958033 (E_RNA) where: Base-Base interactions energy: -490.054 where: short stacking energy: -241.235 Base-Backbone interact. energy: -1.121 local terms energy: -267.783177 where: bonds (distance) C4'-P energy: -59.082 bonds (distance) P-C4' energy: -63.785 flat angles C4'-P-C4' energy: -54.785 flat angles P-C4'-P energy: -32.802 tors. eta vs tors. theta energy: -57.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -441.284239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.284239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.284239 (E_RNA) where: Base-Base interactions energy: -249.900 where: short stacking energy: -150.272 Base-Backbone interact. energy: -2.449 local terms energy: -188.934650 where: bonds (distance) C4'-P energy: -49.574 bonds (distance) P-C4' energy: -55.083 flat angles C4'-P-C4' energy: -49.312 flat angles P-C4'-P energy: -15.441 tors. eta vs tors. theta energy: -19.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -280.861440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.861440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.861440 (E_RNA) where: Base-Base interactions energy: -94.010 where: short stacking energy: -74.360 Base-Backbone interact. energy: 0.884 local terms energy: -187.736121 where: bonds (distance) C4'-P energy: -62.630 bonds (distance) P-C4' energy: -68.253 flat angles C4'-P-C4' energy: -40.297 flat angles P-C4'-P energy: -29.787 tors. eta vs tors. theta energy: 13.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1156.153719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.153719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.153719 (E_RNA) where: Base-Base interactions energy: -784.027 where: short stacking energy: -334.404 Base-Backbone interact. energy: -1.017 local terms energy: -371.109134 where: bonds (distance) C4'-P energy: -64.338 bonds (distance) P-C4' energy: -73.875 flat angles C4'-P-C4' energy: -81.382 flat angles P-C4'-P energy: -48.270 tors. eta vs tors. theta energy: -103.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1157.551447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.551447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.551447 (E_RNA) where: Base-Base interactions energy: -799.172 where: short stacking energy: -368.101 Base-Backbone interact. energy: 0.859 local terms energy: -359.239124 where: bonds (distance) C4'-P energy: -62.291 bonds (distance) P-C4' energy: -68.071 flat angles C4'-P-C4' energy: -76.271 flat angles P-C4'-P energy: -48.899 tors. eta vs tors. theta energy: -103.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1049.672558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.672558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.672558 (E_RNA) where: Base-Base interactions energy: -704.942 where: short stacking energy: -334.273 Base-Backbone interact. energy: -0.589 local terms energy: -344.141662 where: bonds (distance) C4'-P energy: -68.905 bonds (distance) P-C4' energy: -61.212 flat angles C4'-P-C4' energy: -79.193 flat angles P-C4'-P energy: -39.694 tors. eta vs tors. theta energy: -95.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -997.981299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.981299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.981299 (E_RNA) where: Base-Base interactions energy: -669.912 where: short stacking energy: -311.485 Base-Backbone interact. energy: -0.620 local terms energy: -327.448935 where: bonds (distance) C4'-P energy: -64.018 bonds (distance) P-C4' energy: -62.212 flat angles C4'-P-C4' energy: -75.667 flat angles P-C4'-P energy: -39.538 tors. eta vs tors. theta energy: -86.014 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: 5 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -926.352593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.352593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.352593 (E_RNA) where: Base-Base interactions energy: -608.532 where: short stacking energy: -289.723 Base-Backbone interact. energy: -0.511 local terms energy: -317.309591 where: bonds (distance) C4'-P energy: -50.370 bonds (distance) P-C4' energy: -64.613 flat angles C4'-P-C4' energy: -79.591 flat angles P-C4'-P energy: -38.634 tors. eta vs tors. theta energy: -84.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -879.183877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.183877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.183877 (E_RNA) where: Base-Base interactions energy: -582.877 where: short stacking energy: -272.247 Base-Backbone interact. energy: 3.117 local terms energy: -299.424029 where: bonds (distance) C4'-P energy: -53.520 bonds (distance) P-C4' energy: -67.950 flat angles C4'-P-C4' energy: -54.464 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: -71.797 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: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -702.946343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.946343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.946343 (E_RNA) where: Base-Base interactions energy: -442.959 where: short stacking energy: -229.286 Base-Backbone interact. energy: -0.775 local terms energy: -259.211992 where: bonds (distance) C4'-P energy: -52.069 bonds (distance) P-C4' energy: -55.593 flat angles C4'-P-C4' energy: -64.891 flat angles P-C4'-P energy: -40.523 tors. eta vs tors. theta energy: -46.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -764.367138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.367138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.367138 (E_RNA) where: Base-Base interactions energy: -492.389 where: short stacking energy: -226.544 Base-Backbone interact. energy: 6.761 local terms energy: -278.739544 where: bonds (distance) C4'-P energy: -60.443 bonds (distance) P-C4' energy: -65.255 flat angles C4'-P-C4' energy: -60.406 flat angles P-C4'-P energy: -44.766 tors. eta vs tors. theta energy: -47.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -435.852091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.852091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.852091 (E_RNA) where: Base-Base interactions energy: -205.417 where: short stacking energy: -116.840 Base-Backbone interact. energy: -1.335 local terms energy: -229.099152 where: bonds (distance) C4'-P energy: -52.518 bonds (distance) P-C4' energy: -56.729 flat angles C4'-P-C4' energy: -66.775 flat angles P-C4'-P energy: -42.868 tors. eta vs tors. theta energy: -10.210 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: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -285.401888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.401888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.401888 (E_RNA) where: Base-Base interactions energy: -102.034 where: short stacking energy: -92.960 Base-Backbone interact. energy: -0.459 local terms energy: -182.909600 where: bonds (distance) C4'-P energy: -47.922 bonds (distance) P-C4' energy: -53.102 flat angles C4'-P-C4' energy: -53.112 flat angles P-C4'-P energy: -33.948 tors. eta vs tors. theta energy: 5.175 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: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1180.880597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.880597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.880597 (E_RNA) where: Base-Base interactions energy: -805.372 where: short stacking energy: -361.618 Base-Backbone interact. energy: -1.535 local terms energy: -373.973130 where: bonds (distance) C4'-P energy: -69.103 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -76.809 flat angles P-C4'-P energy: -47.539 tors. eta vs tors. theta energy: -116.483 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: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1148.730794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.730794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.730794 (E_RNA) where: Base-Base interactions energy: -766.289 where: short stacking energy: -345.963 Base-Backbone interact. energy: 0.590 local terms energy: -383.032137 where: bonds (distance) C4'-P energy: -72.656 bonds (distance) P-C4' energy: -80.125 flat angles C4'-P-C4' energy: -76.165 flat angles P-C4'-P energy: -57.923 tors. eta vs tors. theta energy: -96.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1043.420990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.420990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.420990 (E_RNA) where: Base-Base interactions energy: -684.595 where: short stacking energy: -316.958 Base-Backbone interact. energy: 0.143 local terms energy: -358.968661 where: bonds (distance) C4'-P energy: -62.738 bonds (distance) P-C4' energy: -71.731 flat angles C4'-P-C4' energy: -70.767 flat angles P-C4'-P energy: -53.145 tors. eta vs tors. theta energy: -100.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1014.695601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.695601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.695601 (E_RNA) where: Base-Base interactions energy: -679.165 where: short stacking energy: -310.541 Base-Backbone interact. energy: -0.901 local terms energy: -334.629293 where: bonds (distance) C4'-P energy: -68.348 bonds (distance) P-C4' energy: -59.621 flat angles C4'-P-C4' energy: -71.805 flat angles P-C4'-P energy: -51.552 tors. eta vs tors. theta energy: -83.303 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: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -903.662503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.662503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.662503 (E_RNA) where: Base-Base interactions energy: -591.703 where: short stacking energy: -277.024 Base-Backbone interact. energy: 0.419 local terms energy: -312.378111 where: bonds (distance) C4'-P energy: -64.665 bonds (distance) P-C4' energy: -55.770 flat angles C4'-P-C4' energy: -64.006 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: -79.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -888.144237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.144237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.144237 (E_RNA) where: Base-Base interactions energy: -591.955 where: short stacking energy: -255.457 Base-Backbone interact. energy: -0.651 local terms energy: -295.538441 where: bonds (distance) C4'-P energy: -57.023 bonds (distance) P-C4' energy: -56.563 flat angles C4'-P-C4' energy: -65.747 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: -77.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -769.722721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.722721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.722721 (E_RNA) where: Base-Base interactions energy: -482.836 where: short stacking energy: -217.831 Base-Backbone interact. energy: -0.927 local terms energy: -285.959357 where: bonds (distance) C4'-P energy: -68.609 bonds (distance) P-C4' energy: -62.944 flat angles C4'-P-C4' energy: -56.598 flat angles P-C4'-P energy: -48.699 tors. eta vs tors. theta energy: -49.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -676.470516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.470516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.470516 (E_RNA) where: Base-Base interactions energy: -428.039 where: short stacking energy: -232.738 Base-Backbone interact. energy: -1.076 local terms energy: -247.355701 where: bonds (distance) C4'-P energy: -48.491 bonds (distance) P-C4' energy: -60.955 flat angles C4'-P-C4' energy: -55.568 flat angles P-C4'-P energy: -38.852 tors. eta vs tors. theta energy: -43.490 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: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -333.924271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.924271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.924271 (E_RNA) where: Base-Base interactions energy: -142.984 where: short stacking energy: -103.664 Base-Backbone interact. energy: -1.023 local terms energy: -189.917893 where: bonds (distance) C4'-P energy: -54.430 bonds (distance) P-C4' energy: -59.249 flat angles C4'-P-C4' energy: -57.098 flat angles P-C4'-P energy: -27.545 tors. eta vs tors. theta energy: 8.404 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: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -271.324972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.324972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.324972 (E_RNA) where: Base-Base interactions energy: -78.353 where: short stacking energy: -74.645 Base-Backbone interact. energy: -0.738 local terms energy: -192.234098 where: bonds (distance) C4'-P energy: -66.538 bonds (distance) P-C4' energy: -68.327 flat angles C4'-P-C4' energy: -46.674 flat angles P-C4'-P energy: -22.469 tors. eta vs tors. theta energy: 11.773 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: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1177.616289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.616289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.616289 (E_RNA) where: Base-Base interactions energy: -793.504 where: short stacking energy: -357.438 Base-Backbone interact. energy: -1.141 local terms energy: -382.970779 where: bonds (distance) C4'-P energy: -60.841 bonds (distance) P-C4' energy: -69.114 flat angles C4'-P-C4' energy: -76.424 flat angles P-C4'-P energy: -57.285 tors. eta vs tors. theta energy: -119.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1151.732928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.732928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.732928 (E_RNA) where: Base-Base interactions energy: -774.908 where: short stacking energy: -379.260 Base-Backbone interact. energy: -0.435 local terms energy: -376.389887 where: bonds (distance) C4'-P energy: -63.981 bonds (distance) P-C4' energy: -72.560 flat angles C4'-P-C4' energy: -81.506 flat angles P-C4'-P energy: -44.664 tors. eta vs tors. theta energy: -113.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1050.828833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.828833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.828833 (E_RNA) where: Base-Base interactions energy: -693.202 where: short stacking energy: -341.092 Base-Backbone interact. energy: -0.331 local terms energy: -357.295270 where: bonds (distance) C4'-P energy: -68.937 bonds (distance) P-C4' energy: -63.659 flat angles C4'-P-C4' energy: -73.728 flat angles P-C4'-P energy: -50.262 tors. eta vs tors. theta energy: -100.710 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: 221 Temperature: 1.050000 Total energy: -1016.703898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.703898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.703898 (E_RNA) where: Base-Base interactions energy: -677.863 where: short stacking energy: -321.606 Base-Backbone interact. energy: 0.027 local terms energy: -338.867592 where: bonds (distance) C4'-P energy: -55.109 bonds (distance) P-C4' energy: -67.557 flat angles C4'-P-C4' energy: -78.801 flat angles P-C4'-P energy: -49.033 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: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -893.718447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.718447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.718447 (E_RNA) where: Base-Base interactions energy: -591.277 where: short stacking energy: -280.420 Base-Backbone interact. energy: -1.539 local terms energy: -300.902810 where: bonds (distance) C4'-P energy: -60.219 bonds (distance) P-C4' energy: -55.978 flat angles C4'-P-C4' energy: -56.379 flat angles P-C4'-P energy: -39.035 tors. eta vs tors. theta energy: -89.291 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: 221 Temperature: 1.150000 Total energy: -836.199582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.199582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.199582 (E_RNA) where: Base-Base interactions energy: -550.374 where: short stacking energy: -275.930 Base-Backbone interact. energy: -1.298 local terms energy: -284.527139 where: bonds (distance) C4'-P energy: -55.062 bonds (distance) P-C4' energy: -56.089 flat angles C4'-P-C4' energy: -60.819 flat angles P-C4'-P energy: -36.010 tors. eta vs tors. theta energy: -76.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -771.331674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.331674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.331674 (E_RNA) where: Base-Base interactions energy: -498.373 where: short stacking energy: -230.248 Base-Backbone interact. energy: 2.070 local terms energy: -275.028760 where: bonds (distance) C4'-P energy: -61.807 bonds (distance) P-C4' energy: -59.230 flat angles C4'-P-C4' energy: -64.775 flat angles P-C4'-P energy: -37.443 tors. eta vs tors. theta energy: -51.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -679.945234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.945234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.945234 (E_RNA) where: Base-Base interactions energy: -417.321 where: short stacking energy: -212.468 Base-Backbone interact. energy: -1.207 local terms energy: -261.417898 where: bonds (distance) C4'-P energy: -63.174 bonds (distance) P-C4' energy: -61.215 flat angles C4'-P-C4' energy: -59.573 flat angles P-C4'-P energy: -30.479 tors. eta vs tors. theta energy: -46.977 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: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -343.435644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.435644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.435644 (E_RNA) where: Base-Base interactions energy: -146.815 where: short stacking energy: -118.412 Base-Backbone interact. energy: -1.007 local terms energy: -195.614617 where: bonds (distance) C4'-P energy: -42.736 bonds (distance) P-C4' energy: -66.073 flat angles C4'-P-C4' energy: -42.566 flat angles P-C4'-P energy: -37.787 tors. eta vs tors. theta energy: -6.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -293.224379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.224379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.224379 (E_RNA) where: Base-Base interactions energy: -86.482 where: short stacking energy: -61.350 Base-Backbone interact. energy: -0.875 local terms energy: -205.867474 where: bonds (distance) C4'-P energy: -55.095 bonds (distance) P-C4' energy: -59.973 flat angles C4'-P-C4' energy: -55.648 flat angles P-C4'-P energy: -20.834 tors. eta vs tors. theta energy: -14.317 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: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1182.674840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.674840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.674840 (E_RNA) where: Base-Base interactions energy: -801.875 where: short stacking energy: -360.212 Base-Backbone interact. energy: -2.696 local terms energy: -378.103610 where: bonds (distance) C4'-P energy: -74.255 bonds (distance) P-C4' energy: -61.421 flat angles C4'-P-C4' energy: -77.431 flat angles P-C4'-P energy: -59.408 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: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1144.773781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.773781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.773781 (E_RNA) where: Base-Base interactions energy: -777.988 where: short stacking energy: -344.985 Base-Backbone interact. energy: 0.122 local terms energy: -366.907207 where: bonds (distance) C4'-P energy: -73.354 bonds (distance) P-C4' energy: -68.788 flat angles C4'-P-C4' energy: -73.689 flat angles P-C4'-P energy: -54.468 tors. eta vs tors. theta energy: -96.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1071.461853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.461853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.461853 (E_RNA) where: Base-Base interactions energy: -717.608 where: short stacking energy: -349.449 Base-Backbone interact. energy: -0.841 local terms energy: -353.012130 where: bonds (distance) C4'-P energy: -66.483 bonds (distance) P-C4' energy: -65.895 flat angles C4'-P-C4' energy: -72.264 flat angles P-C4'-P energy: -48.282 tors. eta vs tors. theta energy: -100.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1049.248177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.248177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.248177 (E_RNA) where: Base-Base interactions energy: -698.728 where: short stacking energy: -322.611 Base-Backbone interact. energy: -0.502 local terms energy: -350.018132 where: bonds (distance) C4'-P energy: -73.614 bonds (distance) P-C4' energy: -61.724 flat angles C4'-P-C4' energy: -74.127 flat angles P-C4'-P energy: -40.591 tors. eta vs tors. theta energy: -99.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -893.006703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.006703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.006703 (E_RNA) where: Base-Base interactions energy: -566.609 where: short stacking energy: -262.484 Base-Backbone interact. energy: 0.162 local terms energy: -326.560109 where: bonds (distance) C4'-P energy: -60.039 bonds (distance) P-C4' energy: -62.215 flat angles C4'-P-C4' energy: -77.350 flat angles P-C4'-P energy: -52.951 tors. eta vs tors. theta energy: -74.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -892.744501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.744501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.744501 (E_RNA) where: Base-Base interactions energy: -585.076 where: short stacking energy: -277.738 Base-Backbone interact. energy: -2.380 local terms energy: -305.288093 where: bonds (distance) C4'-P energy: -45.436 bonds (distance) P-C4' energy: -62.616 flat angles C4'-P-C4' energy: -70.448 flat angles P-C4'-P energy: -41.251 tors. eta vs tors. theta energy: -85.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -806.341368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.341368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.341368 (E_RNA) where: Base-Base interactions energy: -517.991 where: short stacking energy: -267.930 Base-Backbone interact. energy: -0.285 local terms energy: -288.066033 where: bonds (distance) C4'-P energy: -64.295 bonds (distance) P-C4' energy: -57.570 flat angles C4'-P-C4' energy: -59.362 flat angles P-C4'-P energy: -40.600 tors. eta vs tors. theta energy: -66.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -617.679126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.679126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.679126 (E_RNA) where: Base-Base interactions energy: -385.072 where: short stacking energy: -192.040 Base-Backbone interact. energy: -0.898 local terms energy: -231.708240 where: bonds (distance) C4'-P energy: -42.165 bonds (distance) P-C4' energy: -61.831 flat angles C4'-P-C4' energy: -61.729 flat angles P-C4'-P energy: -30.468 tors. eta vs tors. theta energy: -35.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -313.699357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.699357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.699357 (E_RNA) where: Base-Base interactions energy: -128.039 where: short stacking energy: -100.689 Base-Backbone interact. energy: 1.886 local terms energy: -187.545853 where: bonds (distance) C4'-P energy: -64.410 bonds (distance) P-C4' energy: -65.438 flat angles C4'-P-C4' energy: -37.599 flat angles P-C4'-P energy: -22.112 tors. eta vs tors. theta energy: 2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -294.878243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.878243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.878243 (E_RNA) where: Base-Base interactions energy: -110.807 where: short stacking energy: -89.517 Base-Backbone interact. energy: -0.442 local terms energy: -183.629320 where: bonds (distance) C4'-P energy: -53.343 bonds (distance) P-C4' energy: -53.777 flat angles C4'-P-C4' energy: -54.204 flat angles P-C4'-P energy: -36.068 tors. eta vs tors. theta energy: 13.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1173.187565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.187565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.187565 (E_RNA) where: Base-Base interactions energy: -805.914 where: short stacking energy: -378.605 Base-Backbone interact. energy: 4.189 local terms energy: -371.462268 where: bonds (distance) C4'-P energy: -63.453 bonds (distance) P-C4' energy: -69.531 flat angles C4'-P-C4' energy: -76.456 flat angles P-C4'-P energy: -54.441 tors. eta vs tors. theta energy: -107.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1103.639691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.639691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.639691 (E_RNA) where: Base-Base interactions energy: -736.451 where: short stacking energy: -344.974 Base-Backbone interact. energy: -0.149 local terms energy: -367.039761 where: bonds (distance) C4'-P energy: -68.680 bonds (distance) P-C4' energy: -72.201 flat angles C4'-P-C4' energy: -73.518 flat angles P-C4'-P energy: -51.378 tors. eta vs tors. theta energy: -101.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1088.329802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.329802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.329802 (E_RNA) where: Base-Base interactions energy: -722.722 where: short stacking energy: -321.055 Base-Backbone interact. energy: -0.443 local terms energy: -365.164091 where: bonds (distance) C4'-P energy: -69.853 bonds (distance) P-C4' energy: -76.417 flat angles C4'-P-C4' energy: -77.498 flat angles P-C4'-P energy: -43.149 tors. eta vs tors. theta energy: -98.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1064.105830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.105830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.105830 (E_RNA) where: Base-Base interactions energy: -712.171 where: short stacking energy: -328.046 Base-Backbone interact. energy: -1.700 local terms energy: -350.234968 where: bonds (distance) C4'-P energy: -66.474 bonds (distance) P-C4' energy: -67.014 flat angles C4'-P-C4' energy: -66.017 flat angles P-C4'-P energy: -52.585 tors. eta vs tors. theta energy: -98.146 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: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -948.341740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.341740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.341740 (E_RNA) where: Base-Base interactions energy: -631.183 where: short stacking energy: -292.101 Base-Backbone interact. energy: -0.211 local terms energy: -316.947904 where: bonds (distance) C4'-P energy: -55.051 bonds (distance) P-C4' energy: -71.697 flat angles C4'-P-C4' energy: -58.200 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -81.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -831.858468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.858468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.858468 (E_RNA) where: Base-Base interactions energy: -546.842 where: short stacking energy: -230.725 Base-Backbone interact. energy: -0.478 local terms energy: -284.538299 where: bonds (distance) C4'-P energy: -61.742 bonds (distance) P-C4' energy: -65.504 flat angles C4'-P-C4' energy: -62.292 flat angles P-C4'-P energy: -30.892 tors. eta vs tors. theta energy: -64.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -788.337945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.337945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.337945 (E_RNA) where: Base-Base interactions energy: -504.254 where: short stacking energy: -263.266 Base-Backbone interact. energy: -0.478 local terms energy: -283.605236 where: bonds (distance) C4'-P energy: -62.278 bonds (distance) P-C4' energy: -54.944 flat angles C4'-P-C4' energy: -63.576 flat angles P-C4'-P energy: -38.116 tors. eta vs tors. theta energy: -64.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -651.866971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.866971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.866971 (E_RNA) where: Base-Base interactions energy: -390.303 where: short stacking energy: -188.875 Base-Backbone interact. energy: 0.350 local terms energy: -261.913902 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -67.642 flat angles C4'-P-C4' energy: -66.124 flat angles P-C4'-P energy: -31.437 tors. eta vs tors. theta energy: -39.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -320.420482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.420482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.420482 (E_RNA) where: Base-Base interactions energy: -133.455 where: short stacking energy: -105.085 Base-Backbone interact. energy: 0.884 local terms energy: -187.849738 where: bonds (distance) C4'-P energy: -65.052 bonds (distance) P-C4' energy: -62.798 flat angles C4'-P-C4' energy: -45.447 flat angles P-C4'-P energy: -29.064 tors. eta vs tors. theta energy: 14.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -291.584486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.584486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.584486 (E_RNA) where: Base-Base interactions energy: -127.777 where: short stacking energy: -83.159 Base-Backbone interact. energy: 3.557 local terms energy: -167.364816 where: bonds (distance) C4'-P energy: -59.541 bonds (distance) P-C4' energy: -53.952 flat angles C4'-P-C4' energy: -51.882 flat angles P-C4'-P energy: -16.504 tors. eta vs tors. theta energy: 14.514 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: 1, replica: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1168.795206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.795206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.795206 (E_RNA) where: Base-Base interactions energy: -798.749 where: short stacking energy: -365.229 Base-Backbone interact. energy: -3.002 local terms energy: -367.044330 where: bonds (distance) C4'-P energy: -68.831 bonds (distance) P-C4' energy: -59.865 flat angles C4'-P-C4' energy: -87.000 flat angles P-C4'-P energy: -52.504 tors. eta vs tors. theta energy: -98.844 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: 2, replica: 4 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1094.422985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.422985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.422985 (E_RNA) where: Base-Base interactions energy: -735.279 where: short stacking energy: -355.231 Base-Backbone interact. energy: 0.222 local terms energy: -359.365674 where: bonds (distance) C4'-P energy: -62.074 bonds (distance) P-C4' energy: -64.434 flat angles C4'-P-C4' energy: -79.670 flat angles P-C4'-P energy: -45.783 tors. eta vs tors. theta energy: -107.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1073.437768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.437768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.437768 (E_RNA) where: Base-Base interactions energy: -721.176 where: short stacking energy: -332.369 Base-Backbone interact. energy: -1.630 local terms energy: -350.632198 where: bonds (distance) C4'-P energy: -75.515 bonds (distance) P-C4' energy: -61.859 flat angles C4'-P-C4' energy: -65.251 flat angles P-C4'-P energy: -45.947 tors. eta vs tors. theta energy: -102.060 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: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1060.452524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.452524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.452524 (E_RNA) where: Base-Base interactions energy: -726.490 where: short stacking energy: -341.569 Base-Backbone interact. energy: 2.995 local terms energy: -336.956926 where: bonds (distance) C4'-P energy: -52.538 bonds (distance) P-C4' energy: -70.054 flat angles C4'-P-C4' energy: -73.283 flat angles P-C4'-P energy: -43.789 tors. eta vs tors. theta energy: -97.293 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: 5, replica: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -899.744039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.744039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.744039 (E_RNA) where: Base-Base interactions energy: -593.337 where: short stacking energy: -286.883 Base-Backbone interact. energy: -0.900 local terms energy: -305.507156 where: bonds (distance) C4'-P energy: -61.773 bonds (distance) P-C4' energy: -59.675 flat angles C4'-P-C4' energy: -64.904 flat angles P-C4'-P energy: -41.470 tors. eta vs tors. theta energy: -77.686 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: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -886.921140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.921140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.921140 (E_RNA) where: Base-Base interactions energy: -601.436 where: short stacking energy: -279.972 Base-Backbone interact. energy: -1.301 local terms energy: -284.184424 where: bonds (distance) C4'-P energy: -50.906 bonds (distance) P-C4' energy: -48.392 flat angles C4'-P-C4' energy: -66.415 flat angles P-C4'-P energy: -47.108 tors. eta vs tors. theta energy: -71.365 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: 224 Temperature: 1.200000 Total energy: -748.312036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.312036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.312036 (E_RNA) where: Base-Base interactions energy: -481.262 where: short stacking energy: -228.636 Base-Backbone interact. energy: -0.381 local terms energy: -266.668535 where: bonds (distance) C4'-P energy: -51.211 bonds (distance) P-C4' energy: -61.719 flat angles C4'-P-C4' energy: -62.468 flat angles P-C4'-P energy: -42.261 tors. eta vs tors. theta energy: -49.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -669.918882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.918882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.918882 (E_RNA) where: Base-Base interactions energy: -404.021 where: short stacking energy: -210.537 Base-Backbone interact. energy: 0.835 local terms energy: -266.732755 where: bonds (distance) C4'-P energy: -55.017 bonds (distance) P-C4' energy: -56.970 flat angles C4'-P-C4' energy: -63.900 flat angles P-C4'-P energy: -40.587 tors. eta vs tors. theta energy: -50.259 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: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -322.269793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.269793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.269793 (E_RNA) where: Base-Base interactions energy: -107.719 where: short stacking energy: -97.735 Base-Backbone interact. energy: -1.516 local terms energy: -213.034637 where: bonds (distance) C4'-P energy: -57.907 bonds (distance) P-C4' energy: -78.484 flat angles C4'-P-C4' energy: -39.059 flat angles P-C4'-P energy: -31.290 tors. eta vs tors. theta energy: -6.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -282.168751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.168751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.168751 (E_RNA) where: Base-Base interactions energy: -96.004 where: short stacking energy: -88.036 Base-Backbone interact. energy: 1.901 local terms energy: -188.065537 where: bonds (distance) C4'-P energy: -61.503 bonds (distance) P-C4' energy: -54.002 flat angles C4'-P-C4' energy: -45.296 flat angles P-C4'-P energy: -32.479 tors. eta vs tors. theta energy: 5.214 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: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1171.828820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.828820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.828820 (E_RNA) where: Base-Base interactions energy: -798.047 where: short stacking energy: -368.752 Base-Backbone interact. energy: -0.306 local terms energy: -373.475500 where: bonds (distance) C4'-P energy: -64.621 bonds (distance) P-C4' energy: -71.214 flat angles C4'-P-C4' energy: -76.476 flat angles P-C4'-P energy: -52.969 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: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1113.370728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.370728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.370728 (E_RNA) where: Base-Base interactions energy: -736.737 where: short stacking energy: -347.127 Base-Backbone interact. energy: 0.871 local terms energy: -377.504580 where: bonds (distance) C4'-P energy: -63.667 bonds (distance) P-C4' energy: -77.887 flat angles C4'-P-C4' energy: -78.196 flat angles P-C4'-P energy: -51.943 tors. eta vs tors. theta energy: -105.812 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: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1075.655736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.655736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.655736 (E_RNA) where: Base-Base interactions energy: -740.160 where: short stacking energy: -334.120 Base-Backbone interact. energy: 0.887 local terms energy: -336.383226 where: bonds (distance) C4'-P energy: -60.048 bonds (distance) P-C4' energy: -58.117 flat angles C4'-P-C4' energy: -74.227 flat angles P-C4'-P energy: -50.507 tors. eta vs tors. theta energy: -93.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1047.239543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.239543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.239543 (E_RNA) where: Base-Base interactions energy: -691.849 where: short stacking energy: -313.148 Base-Backbone interact. energy: -3.048 local terms energy: -352.342374 where: bonds (distance) C4'-P energy: -45.314 bonds (distance) P-C4' energy: -80.042 flat angles C4'-P-C4' energy: -83.494 flat angles P-C4'-P energy: -51.963 tors. eta vs tors. theta energy: -91.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -917.493404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.493404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.493404 (E_RNA) where: Base-Base interactions energy: -601.392 where: short stacking energy: -278.799 Base-Backbone interact. energy: 0.171 local terms energy: -316.272422 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -61.507 flat angles C4'-P-C4' energy: -62.679 flat angles P-C4'-P energy: -45.062 tors. eta vs tors. theta energy: -81.174 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: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -870.555946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.555946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.555946 (E_RNA) where: Base-Base interactions energy: -573.951 where: short stacking energy: -260.918 Base-Backbone interact. energy: -1.070 local terms energy: -295.535296 where: bonds (distance) C4'-P energy: -67.207 bonds (distance) P-C4' energy: -60.721 flat angles C4'-P-C4' energy: -65.628 flat angles P-C4'-P energy: -38.797 tors. eta vs tors. theta energy: -63.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -801.194861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.194861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.194861 (E_RNA) where: Base-Base interactions energy: -503.676 where: short stacking energy: -243.900 Base-Backbone interact. energy: 0.355 local terms energy: -297.874184 where: bonds (distance) C4'-P energy: -47.450 bonds (distance) P-C4' energy: -70.518 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -42.120 tors. eta vs tors. theta energy: -67.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -652.400703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.400703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.400703 (E_RNA) where: Base-Base interactions energy: -377.000 where: short stacking energy: -190.068 Base-Backbone interact. energy: 0.072 local terms energy: -275.472717 where: bonds (distance) C4'-P energy: -54.905 bonds (distance) P-C4' energy: -74.036 flat angles C4'-P-C4' energy: -60.033 flat angles P-C4'-P energy: -44.423 tors. eta vs tors. theta energy: -42.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -296.036217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.036217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.036217 (E_RNA) where: Base-Base interactions energy: -115.025 where: short stacking energy: -105.132 Base-Backbone interact. energy: 1.121 local terms energy: -182.132656 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -58.206 flat angles C4'-P-C4' energy: -43.267 flat angles P-C4'-P energy: -36.080 tors. eta vs tors. theta energy: 14.259 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: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -297.192595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.192595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.192595 (E_RNA) where: Base-Base interactions energy: -117.057 where: short stacking energy: -82.273 Base-Backbone interact. energy: 0.327 local terms energy: -180.462999 where: bonds (distance) C4'-P energy: -56.453 bonds (distance) P-C4' energy: -60.988 flat angles C4'-P-C4' energy: -50.606 flat angles P-C4'-P energy: -26.193 tors. eta vs tors. theta energy: 13.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1182.929054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.929054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.929054 (E_RNA) where: Base-Base interactions energy: -795.432 where: short stacking energy: -374.342 Base-Backbone interact. energy: -1.335 local terms energy: -386.161464 where: bonds (distance) C4'-P energy: -69.736 bonds (distance) P-C4' energy: -67.197 flat angles C4'-P-C4' energy: -80.056 flat angles P-C4'-P energy: -62.065 tors. eta vs tors. theta energy: -107.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1101.973330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.973330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.973330 (E_RNA) where: Base-Base interactions energy: -743.625 where: short stacking energy: -367.667 Base-Backbone interact. energy: -0.109 local terms energy: -358.238898 where: bonds (distance) C4'-P energy: -63.112 bonds (distance) P-C4' energy: -60.725 flat angles C4'-P-C4' energy: -78.057 flat angles P-C4'-P energy: -45.586 tors. eta vs tors. theta energy: -110.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1105.927784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.927784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.927784 (E_RNA) where: Base-Base interactions energy: -766.434 where: short stacking energy: -346.754 Base-Backbone interact. energy: -1.240 local terms energy: -338.253710 where: bonds (distance) C4'-P energy: -59.460 bonds (distance) P-C4' energy: -64.444 flat angles C4'-P-C4' energy: -73.420 flat angles P-C4'-P energy: -43.273 tors. eta vs tors. theta energy: -97.657 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: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1037.310113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.310113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.310113 (E_RNA) where: Base-Base interactions energy: -696.854 where: short stacking energy: -317.836 Base-Backbone interact. energy: -0.997 local terms energy: -339.459511 where: bonds (distance) C4'-P energy: -69.424 bonds (distance) P-C4' energy: -59.860 flat angles C4'-P-C4' energy: -70.113 flat angles P-C4'-P energy: -50.740 tors. eta vs tors. theta energy: -89.323 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: 5, replica: 5 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -957.980221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.980221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.980221 (E_RNA) where: Base-Base interactions energy: -649.041 where: short stacking energy: -309.188 Base-Backbone interact. energy: -0.996 local terms energy: -307.943470 where: bonds (distance) C4'-P energy: -56.023 bonds (distance) P-C4' energy: -69.038 flat angles C4'-P-C4' energy: -68.565 flat angles P-C4'-P energy: -33.914 tors. eta vs tors. theta energy: -80.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -905.526981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.526981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.526981 (E_RNA) where: Base-Base interactions energy: -597.971 where: short stacking energy: -265.074 Base-Backbone interact. energy: -0.129 local terms energy: -307.427754 where: bonds (distance) C4'-P energy: -63.604 bonds (distance) P-C4' energy: -59.150 flat angles C4'-P-C4' energy: -69.963 flat angles P-C4'-P energy: -34.190 tors. eta vs tors. theta energy: -80.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -798.417904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.417904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.417904 (E_RNA) where: Base-Base interactions energy: -514.759 where: short stacking energy: -255.844 Base-Backbone interact. energy: -0.222 local terms energy: -283.436354 where: bonds (distance) C4'-P energy: -55.519 bonds (distance) P-C4' energy: -57.322 flat angles C4'-P-C4' energy: -62.860 flat angles P-C4'-P energy: -43.414 tors. eta vs tors. theta energy: -64.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -653.407804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.407804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.407804 (E_RNA) where: Base-Base interactions energy: -396.058 where: short stacking energy: -198.267 Base-Backbone interact. energy: -1.122 local terms energy: -256.227388 where: bonds (distance) C4'-P energy: -44.196 bonds (distance) P-C4' energy: -72.656 flat angles C4'-P-C4' energy: -64.453 flat angles P-C4'-P energy: -36.755 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: 9, replica: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -323.985591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.985591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.985591 (E_RNA) where: Base-Base interactions energy: -135.650 where: short stacking energy: -113.783 Base-Backbone interact. energy: 6.342 local terms energy: -194.677253 where: bonds (distance) C4'-P energy: -52.101 bonds (distance) P-C4' energy: -62.968 flat angles C4'-P-C4' energy: -48.419 flat angles P-C4'-P energy: -24.311 tors. eta vs tors. theta energy: -6.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -276.040758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.040758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.040758 (E_RNA) where: Base-Base interactions energy: -87.483 where: short stacking energy: -69.140 Base-Backbone interact. energy: -0.813 local terms energy: -187.744469 where: bonds (distance) C4'-P energy: -57.324 bonds (distance) P-C4' energy: -61.996 flat angles C4'-P-C4' energy: -44.210 flat angles P-C4'-P energy: -38.027 tors. eta vs tors. theta energy: 13.813 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: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1173.005707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.005707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.005707 (E_RNA) where: Base-Base interactions energy: -802.840 where: short stacking energy: -363.368 Base-Backbone interact. energy: -2.909 local terms energy: -367.256322 where: bonds (distance) C4'-P energy: -61.042 bonds (distance) P-C4' energy: -69.556 flat angles C4'-P-C4' energy: -83.121 flat angles P-C4'-P energy: -45.730 tors. eta vs tors. theta energy: -107.807 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: 3 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1129.179243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.179243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.179243 (E_RNA) where: Base-Base interactions energy: -756.847 where: short stacking energy: -351.098 Base-Backbone interact. energy: -0.552 local terms energy: -371.781090 where: bonds (distance) C4'-P energy: -64.092 bonds (distance) P-C4' energy: -71.277 flat angles C4'-P-C4' energy: -68.873 flat angles P-C4'-P energy: -57.385 tors. eta vs tors. theta energy: -110.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1036.230400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.230400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.230400 (E_RNA) where: Base-Base interactions energy: -688.358 where: short stacking energy: -334.210 Base-Backbone interact. energy: 2.118 local terms energy: -349.990078 where: bonds (distance) C4'-P energy: -74.867 bonds (distance) P-C4' energy: -62.066 flat angles C4'-P-C4' energy: -74.247 flat angles P-C4'-P energy: -46.084 tors. eta vs tors. theta energy: -92.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1047.304524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.304524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.304524 (E_RNA) where: Base-Base interactions energy: -693.945 where: short stacking energy: -317.525 Base-Backbone interact. energy: -1.642 local terms energy: -351.717558 where: bonds (distance) C4'-P energy: -62.440 bonds (distance) P-C4' energy: -69.304 flat angles C4'-P-C4' energy: -72.361 flat angles P-C4'-P energy: -52.215 tors. eta vs tors. theta energy: -95.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -962.614315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.614315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.614315 (E_RNA) where: Base-Base interactions energy: -625.573 where: short stacking energy: -284.090 Base-Backbone interact. energy: -0.300 local terms energy: -336.741903 where: bonds (distance) C4'-P energy: -62.996 bonds (distance) P-C4' energy: -69.978 flat angles C4'-P-C4' energy: -69.839 flat angles P-C4'-P energy: -44.058 tors. eta vs tors. theta energy: -89.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -911.330097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.330097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.330097 (E_RNA) where: Base-Base interactions energy: -603.372 where: short stacking energy: -287.617 Base-Backbone interact. energy: -0.662 local terms energy: -307.296617 where: bonds (distance) C4'-P energy: -54.931 bonds (distance) P-C4' energy: -63.297 flat angles C4'-P-C4' energy: -63.565 flat angles P-C4'-P energy: -41.380 tors. eta vs tors. theta energy: -84.124 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: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -794.001052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.001052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.001052 (E_RNA) where: Base-Base interactions energy: -489.775 where: short stacking energy: -257.544 Base-Backbone interact. energy: -0.925 local terms energy: -303.300334 where: bonds (distance) C4'-P energy: -55.181 bonds (distance) P-C4' energy: -67.199 flat angles C4'-P-C4' energy: -64.924 flat angles P-C4'-P energy: -48.080 tors. eta vs tors. theta energy: -67.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -626.845951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.845951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.845951 (E_RNA) where: Base-Base interactions energy: -358.518 where: short stacking energy: -201.511 Base-Backbone interact. energy: 0.358 local terms energy: -268.686315 where: bonds (distance) C4'-P energy: -47.178 bonds (distance) P-C4' energy: -70.918 flat angles C4'-P-C4' energy: -62.057 flat angles P-C4'-P energy: -34.553 tors. eta vs tors. theta energy: -53.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -299.855249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.855249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.855249 (E_RNA) where: Base-Base interactions energy: -92.024 where: short stacking energy: -87.929 Base-Backbone interact. energy: 1.726 local terms energy: -209.557107 where: bonds (distance) C4'-P energy: -56.132 bonds (distance) P-C4' energy: -59.387 flat angles C4'-P-C4' energy: -69.309 flat angles P-C4'-P energy: -43.050 tors. eta vs tors. theta energy: 18.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -276.683103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.683103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.683103 (E_RNA) where: Base-Base interactions energy: -115.084 where: short stacking energy: -97.715 Base-Backbone interact. energy: 4.067 local terms energy: -165.666560 where: bonds (distance) C4'-P energy: -53.635 bonds (distance) P-C4' energy: -66.578 flat angles C4'-P-C4' energy: -32.828 flat angles P-C4'-P energy: -17.107 tors. eta vs tors. theta energy: 4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1181.039258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.039258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.039258 (E_RNA) where: Base-Base interactions energy: -802.099 where: short stacking energy: -371.435 Base-Backbone interact. energy: -0.405 local terms energy: -378.535374 where: bonds (distance) C4'-P energy: -64.172 bonds (distance) P-C4' energy: -71.362 flat angles C4'-P-C4' energy: -83.065 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -112.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1147.622395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.622395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.622395 (E_RNA) where: Base-Base interactions energy: -764.059 where: short stacking energy: -369.815 Base-Backbone interact. energy: -2.215 local terms energy: -381.347662 where: bonds (distance) C4'-P energy: -66.218 bonds (distance) P-C4' energy: -77.252 flat angles C4'-P-C4' energy: -76.597 flat angles P-C4'-P energy: -48.427 tors. eta vs tors. theta energy: -112.855 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: 3, replica: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1045.614813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.614813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.614813 (E_RNA) where: Base-Base interactions energy: -689.618 where: short stacking energy: -329.431 Base-Backbone interact. energy: 0.266 local terms energy: -356.262410 where: bonds (distance) C4'-P energy: -71.763 bonds (distance) P-C4' energy: -63.534 flat angles C4'-P-C4' energy: -78.817 flat angles P-C4'-P energy: -42.585 tors. eta vs tors. theta energy: -99.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1049.405576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.405576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.405576 (E_RNA) where: Base-Base interactions energy: -687.466 where: short stacking energy: -306.859 Base-Backbone interact. energy: -0.816 local terms energy: -361.122915 where: bonds (distance) C4'-P energy: -58.061 bonds (distance) P-C4' energy: -73.947 flat angles C4'-P-C4' energy: -79.463 flat angles P-C4'-P energy: -58.873 tors. eta vs tors. theta energy: -90.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -958.539621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.539621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.539621 (E_RNA) where: Base-Base interactions energy: -633.665 where: short stacking energy: -281.117 Base-Backbone interact. energy: -0.765 local terms energy: -324.108953 where: bonds (distance) C4'-P energy: -56.200 bonds (distance) P-C4' energy: -64.711 flat angles C4'-P-C4' energy: -78.758 flat angles P-C4'-P energy: -42.095 tors. eta vs tors. theta energy: -82.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -865.887891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.887891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.887891 (E_RNA) where: Base-Base interactions energy: -571.320 where: short stacking energy: -253.345 Base-Backbone interact. energy: -0.345 local terms energy: -294.222831 where: bonds (distance) C4'-P energy: -64.773 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -63.121 flat angles P-C4'-P energy: -31.901 tors. eta vs tors. theta energy: -69.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -782.842226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.842226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.842226 (E_RNA) where: Base-Base interactions energy: -497.706 where: short stacking energy: -237.698 Base-Backbone interact. energy: -0.686 local terms energy: -284.450056 where: bonds (distance) C4'-P energy: -56.921 bonds (distance) P-C4' energy: -54.138 flat angles C4'-P-C4' energy: -65.840 flat angles P-C4'-P energy: -45.904 tors. eta vs tors. theta energy: -61.647 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: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -602.955065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.955065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.955065 (E_RNA) where: Base-Base interactions energy: -337.090 where: short stacking energy: -163.071 Base-Backbone interact. energy: -1.257 local terms energy: -264.608428 where: bonds (distance) C4'-P energy: -71.542 bonds (distance) P-C4' energy: -63.511 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -39.247 tors. eta vs tors. theta energy: -24.227 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: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -316.746583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.746583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.746583 (E_RNA) where: Base-Base interactions energy: -142.087 where: short stacking energy: -107.083 Base-Backbone interact. energy: -2.321 local terms energy: -172.338146 where: bonds (distance) C4'-P energy: -47.897 bonds (distance) P-C4' energy: -52.813 flat angles C4'-P-C4' energy: -44.394 flat angles P-C4'-P energy: -19.148 tors. eta vs tors. theta energy: -8.086 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: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -270.880991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.880991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.880991 (E_RNA) where: Base-Base interactions energy: -76.233 where: short stacking energy: -66.341 Base-Backbone interact. energy: 6.814 local terms energy: -201.462496 where: bonds (distance) C4'-P energy: -62.801 bonds (distance) P-C4' energy: -63.837 flat angles C4'-P-C4' energy: -52.853 flat angles P-C4'-P energy: -28.787 tors. eta vs tors. theta energy: 6.816 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: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1191.305517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.305517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.305517 (E_RNA) where: Base-Base interactions energy: -805.781 where: short stacking energy: -382.258 Base-Backbone interact. energy: -0.767 local terms energy: -384.757573 where: bonds (distance) C4'-P energy: -73.338 bonds (distance) P-C4' energy: -69.026 flat angles C4'-P-C4' energy: -81.905 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: -109.594 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: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1118.876558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.876558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.876558 (E_RNA) where: Base-Base interactions energy: -745.969 where: short stacking energy: -367.841 Base-Backbone interact. energy: -1.241 local terms energy: -371.666003 where: bonds (distance) C4'-P energy: -69.956 bonds (distance) P-C4' energy: -70.230 flat angles C4'-P-C4' energy: -70.629 flat angles P-C4'-P energy: -49.626 tors. eta vs tors. theta energy: -111.225 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: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1076.838352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.838352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.838352 (E_RNA) where: Base-Base interactions energy: -720.144 where: short stacking energy: -345.766 Base-Backbone interact. energy: 2.885 local terms energy: -359.579295 where: bonds (distance) C4'-P energy: -63.300 bonds (distance) P-C4' energy: -63.398 flat angles C4'-P-C4' energy: -77.281 flat angles P-C4'-P energy: -55.048 tors. eta vs tors. theta energy: -100.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1044.473278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.473278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.473278 (E_RNA) where: Base-Base interactions energy: -711.218 where: short stacking energy: -327.780 Base-Backbone interact. energy: -1.332 local terms energy: -331.922828 where: bonds (distance) C4'-P energy: -64.699 bonds (distance) P-C4' energy: -63.765 flat angles C4'-P-C4' energy: -63.736 flat angles P-C4'-P energy: -43.252 tors. eta vs tors. theta energy: -96.470 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: 5 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -985.675531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.675531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.675531 (E_RNA) where: Base-Base interactions energy: -639.822 where: short stacking energy: -314.271 Base-Backbone interact. energy: -0.599 local terms energy: -345.254000 where: bonds (distance) C4'-P energy: -70.022 bonds (distance) P-C4' energy: -66.216 flat angles C4'-P-C4' energy: -72.348 flat angles P-C4'-P energy: -44.254 tors. eta vs tors. theta energy: -92.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -843.682411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.682411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.682411 (E_RNA) where: Base-Base interactions energy: -541.682 where: short stacking energy: -240.277 Base-Backbone interact. energy: -1.929 local terms energy: -300.071473 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -57.629 flat angles C4'-P-C4' energy: -69.028 flat angles P-C4'-P energy: -50.178 tors. eta vs tors. theta energy: -61.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -769.661785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.661785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.661785 (E_RNA) where: Base-Base interactions energy: -491.737 where: short stacking energy: -238.554 Base-Backbone interact. energy: 0.353 local terms energy: -278.277728 where: bonds (distance) C4'-P energy: -63.120 bonds (distance) P-C4' energy: -53.676 flat angles C4'-P-C4' energy: -59.706 flat angles P-C4'-P energy: -44.855 tors. eta vs tors. theta energy: -56.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -593.475803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.475803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.475803 (E_RNA) where: Base-Base interactions energy: -355.139 where: short stacking energy: -184.719 Base-Backbone interact. energy: -1.187 local terms energy: -237.149643 where: bonds (distance) C4'-P energy: -59.252 bonds (distance) P-C4' energy: -60.987 flat angles C4'-P-C4' energy: -52.440 flat angles P-C4'-P energy: -29.932 tors. eta vs tors. theta energy: -34.539 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: 9, replica: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -324.584664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.584664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.584664 (E_RNA) where: Base-Base interactions energy: -121.153 where: short stacking energy: -90.595 Base-Backbone interact. energy: -1.620 local terms energy: -201.811914 where: bonds (distance) C4'-P energy: -56.193 bonds (distance) P-C4' energy: -62.639 flat angles C4'-P-C4' energy: -55.088 flat angles P-C4'-P energy: -27.000 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -308.085778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.085778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.085778 (E_RNA) where: Base-Base interactions energy: -108.975 where: short stacking energy: -81.671 Base-Backbone interact. energy: 3.123 local terms energy: -202.234002 where: bonds (distance) C4'-P energy: -51.683 bonds (distance) P-C4' energy: -65.326 flat angles C4'-P-C4' energy: -59.408 flat angles P-C4'-P energy: -35.891 tors. eta vs tors. theta energy: 10.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1170.379655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.379655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.379655 (E_RNA) where: Base-Base interactions energy: -800.250 where: short stacking energy: -362.337 Base-Backbone interact. energy: 3.543 local terms energy: -373.672269 where: bonds (distance) C4'-P energy: -72.683 bonds (distance) P-C4' energy: -63.894 flat angles C4'-P-C4' energy: -79.794 flat angles P-C4'-P energy: -55.127 tors. eta vs tors. theta energy: -102.175 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: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1110.373727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.373727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.373727 (E_RNA) where: Base-Base interactions energy: -746.550 where: short stacking energy: -344.669 Base-Backbone interact. energy: -1.740 local terms energy: -362.084239 where: bonds (distance) C4'-P energy: -65.876 bonds (distance) P-C4' energy: -60.550 flat angles C4'-P-C4' energy: -74.180 flat angles P-C4'-P energy: -49.766 tors. eta vs tors. theta energy: -111.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1053.999113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.999113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.999113 (E_RNA) where: Base-Base interactions energy: -697.032 where: short stacking energy: -324.729 Base-Backbone interact. energy: -0.170 local terms energy: -356.797475 where: bonds (distance) C4'-P energy: -68.023 bonds (distance) P-C4' energy: -62.775 flat angles C4'-P-C4' energy: -69.775 flat angles P-C4'-P energy: -55.160 tors. eta vs tors. theta energy: -101.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1061.105575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.105575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.105575 (E_RNA) where: Base-Base interactions energy: -723.103 where: short stacking energy: -320.545 Base-Backbone interact. energy: -0.490 local terms energy: -337.512552 where: bonds (distance) C4'-P energy: -68.150 bonds (distance) P-C4' energy: -59.046 flat angles C4'-P-C4' energy: -79.557 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: -92.085 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: 5 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -934.074726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.074726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.074726 (E_RNA) where: Base-Base interactions energy: -643.143 where: short stacking energy: -278.064 Base-Backbone interact. energy: 0.086 local terms energy: -291.017252 where: bonds (distance) C4'-P energy: -53.901 bonds (distance) P-C4' energy: -52.299 flat angles C4'-P-C4' energy: -74.202 flat angles P-C4'-P energy: -41.481 tors. eta vs tors. theta energy: -69.135 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: 6, replica: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -871.145001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.145001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.145001 (E_RNA) where: Base-Base interactions energy: -538.888 where: short stacking energy: -267.267 Base-Backbone interact. energy: -0.949 local terms energy: -331.308426 where: bonds (distance) C4'-P energy: -61.512 bonds (distance) P-C4' energy: -69.634 flat angles C4'-P-C4' energy: -74.071 flat angles P-C4'-P energy: -44.480 tors. eta vs tors. theta energy: -81.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -751.767787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.767787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.767787 (E_RNA) where: Base-Base interactions energy: -457.551 where: short stacking energy: -223.416 Base-Backbone interact. energy: 0.217 local terms energy: -294.434116 where: bonds (distance) C4'-P energy: -59.457 bonds (distance) P-C4' energy: -61.913 flat angles C4'-P-C4' energy: -69.793 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -59.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -614.237632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.237632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.237632 (E_RNA) where: Base-Base interactions energy: -358.114 where: short stacking energy: -192.563 Base-Backbone interact. energy: 1.397 local terms energy: -257.520427 where: bonds (distance) C4'-P energy: -46.839 bonds (distance) P-C4' energy: -65.964 flat angles C4'-P-C4' energy: -64.001 flat angles P-C4'-P energy: -36.994 tors. eta vs tors. theta energy: -43.722 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: 230 Temperature: 1.300000 Total energy: -290.453755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.453755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.453755 (E_RNA) where: Base-Base interactions energy: -95.339 where: short stacking energy: -89.191 Base-Backbone interact. energy: -2.501 local terms energy: -192.613920 where: bonds (distance) C4'-P energy: -46.648 bonds (distance) P-C4' energy: -71.597 flat angles C4'-P-C4' energy: -53.885 flat angles P-C4'-P energy: -26.849 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: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -268.550617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.550617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.550617 (E_RNA) where: Base-Base interactions energy: -76.788 where: short stacking energy: -73.946 Base-Backbone interact. energy: -0.154 local terms energy: -191.609313 where: bonds (distance) C4'-P energy: -62.359 bonds (distance) P-C4' energy: -62.261 flat angles C4'-P-C4' energy: -38.030 flat angles P-C4'-P energy: -36.092 tors. eta vs tors. theta energy: 7.133 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: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1171.894310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.894310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.894310 (E_RNA) where: Base-Base interactions energy: -801.449 where: short stacking energy: -375.250 Base-Backbone interact. energy: -1.482 local terms energy: -368.963581 where: bonds (distance) C4'-P energy: -74.888 bonds (distance) P-C4' energy: -60.873 flat angles C4'-P-C4' energy: -81.318 flat angles P-C4'-P energy: -49.969 tors. eta vs tors. theta energy: -101.916 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: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1107.397869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.397869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.397869 (E_RNA) where: Base-Base interactions energy: -754.323 where: short stacking energy: -337.639 Base-Backbone interact. energy: -0.505 local terms energy: -352.569194 where: bonds (distance) C4'-P energy: -68.708 bonds (distance) P-C4' energy: -69.411 flat angles C4'-P-C4' energy: -76.623 flat angles P-C4'-P energy: -38.145 tors. eta vs tors. theta energy: -99.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1040.122775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.122775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.122775 (E_RNA) where: Base-Base interactions energy: -675.414 where: short stacking energy: -316.200 Base-Backbone interact. energy: -0.013 local terms energy: -364.695800 where: bonds (distance) C4'-P energy: -65.506 bonds (distance) P-C4' energy: -78.231 flat angles C4'-P-C4' energy: -71.734 flat angles P-C4'-P energy: -53.886 tors. eta vs tors. theta energy: -95.339 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: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1018.331101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.331101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.331101 (E_RNA) where: Base-Base interactions energy: -693.568 where: short stacking energy: -319.543 Base-Backbone interact. energy: -0.320 local terms energy: -324.442953 where: bonds (distance) C4'-P energy: -55.616 bonds (distance) P-C4' energy: -58.368 flat angles C4'-P-C4' energy: -70.675 flat angles P-C4'-P energy: -48.731 tors. eta vs tors. theta energy: -91.053 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: 5 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -970.511654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.511654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.511654 (E_RNA) where: Base-Base interactions energy: -634.086 where: short stacking energy: -289.385 Base-Backbone interact. energy: 0.894 local terms energy: -337.319431 where: bonds (distance) C4'-P energy: -59.965 bonds (distance) P-C4' energy: -62.691 flat angles C4'-P-C4' energy: -76.252 flat angles P-C4'-P energy: -57.183 tors. eta vs tors. theta energy: -81.229 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: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -847.767784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.767784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.767784 (E_RNA) where: Base-Base interactions energy: -574.285 where: short stacking energy: -273.616 Base-Backbone interact. energy: 0.390 local terms energy: -273.873108 where: bonds (distance) C4'-P energy: -45.251 bonds (distance) P-C4' energy: -64.255 flat angles C4'-P-C4' energy: -52.461 flat angles P-C4'-P energy: -42.869 tors. eta vs tors. theta energy: -69.037 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: 231 Temperature: 1.200000 Total energy: -732.365053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.365053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.365053 (E_RNA) where: Base-Base interactions energy: -482.950 where: short stacking energy: -224.981 Base-Backbone interact. energy: -1.531 local terms energy: -247.884347 where: bonds (distance) C4'-P energy: -53.891 bonds (distance) P-C4' energy: -51.476 flat angles C4'-P-C4' energy: -57.808 flat angles P-C4'-P energy: -30.277 tors. eta vs tors. theta energy: -54.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -577.252601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.252601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.252601 (E_RNA) where: Base-Base interactions energy: -330.866 where: short stacking energy: -169.880 Base-Backbone interact. energy: 0.211 local terms energy: -246.597033 where: bonds (distance) C4'-P energy: -58.393 bonds (distance) P-C4' energy: -63.888 flat angles C4'-P-C4' energy: -56.641 flat angles P-C4'-P energy: -41.011 tors. eta vs tors. theta energy: -26.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -379.674623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.674623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.674623 (E_RNA) where: Base-Base interactions energy: -190.987 where: short stacking energy: -113.994 Base-Backbone interact. energy: -1.634 local terms energy: -187.053535 where: bonds (distance) C4'-P energy: -42.842 bonds (distance) P-C4' energy: -58.078 flat angles C4'-P-C4' energy: -60.107 flat angles P-C4'-P energy: -27.536 tors. eta vs tors. theta energy: 1.509 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: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -274.953244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.953244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.953244 (E_RNA) where: Base-Base interactions energy: -106.011 where: short stacking energy: -82.914 Base-Backbone interact. energy: 1.164 local terms energy: -170.105996 where: bonds (distance) C4'-P energy: -40.987 bonds (distance) P-C4' energy: -50.022 flat angles C4'-P-C4' energy: -52.985 flat angles P-C4'-P energy: -29.971 tors. eta vs tors. theta energy: 3.859 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: 1 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1150.389216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.389216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.389216 (E_RNA) where: Base-Base interactions energy: -767.560 where: short stacking energy: -355.507 Base-Backbone interact. energy: -0.663 local terms energy: -382.166916 where: bonds (distance) C4'-P energy: -74.363 bonds (distance) P-C4' energy: -69.779 flat angles C4'-P-C4' energy: -80.727 flat angles P-C4'-P energy: -54.648 tors. eta vs tors. theta energy: -102.650 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: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1106.358487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.358487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.358487 (E_RNA) where: Base-Base interactions energy: -748.742 where: short stacking energy: -332.287 Base-Backbone interact. energy: -1.135 local terms energy: -356.481253 where: bonds (distance) C4'-P energy: -65.856 bonds (distance) P-C4' energy: -74.113 flat angles C4'-P-C4' energy: -67.726 flat angles P-C4'-P energy: -55.479 tors. eta vs tors. theta energy: -93.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1052.299705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.299705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.299705 (E_RNA) where: Base-Base interactions energy: -683.910 where: short stacking energy: -329.305 Base-Backbone interact. energy: 0.231 local terms energy: -368.620693 where: bonds (distance) C4'-P energy: -73.115 bonds (distance) P-C4' energy: -71.251 flat angles C4'-P-C4' energy: -75.569 flat angles P-C4'-P energy: -49.646 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: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1036.893441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.893441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.893441 (E_RNA) where: Base-Base interactions energy: -696.567 where: short stacking energy: -327.291 Base-Backbone interact. energy: -0.585 local terms energy: -339.741236 where: bonds (distance) C4'-P energy: -59.563 bonds (distance) P-C4' energy: -75.890 flat angles C4'-P-C4' energy: -68.452 flat angles P-C4'-P energy: -39.757 tors. eta vs tors. theta energy: -96.080 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: 5 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -952.491782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.491782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.491782 (E_RNA) where: Base-Base interactions energy: -640.097 where: short stacking energy: -286.554 Base-Backbone interact. energy: -0.637 local terms energy: -311.758412 where: bonds (distance) C4'-P energy: -56.849 bonds (distance) P-C4' energy: -62.263 flat angles C4'-P-C4' energy: -64.975 flat angles P-C4'-P energy: -31.193 tors. eta vs tors. theta energy: -96.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -827.816932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.816932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.816932 (E_RNA) where: Base-Base interactions energy: -524.327 where: short stacking energy: -251.111 Base-Backbone interact. energy: -2.397 local terms energy: -301.093432 where: bonds (distance) C4'-P energy: -64.705 bonds (distance) P-C4' energy: -59.387 flat angles C4'-P-C4' energy: -62.918 flat angles P-C4'-P energy: -46.731 tors. eta vs tors. theta energy: -67.353 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: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -735.176684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.176684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.176684 (E_RNA) where: Base-Base interactions energy: -457.709 where: short stacking energy: -230.773 Base-Backbone interact. energy: -0.735 local terms energy: -276.732527 where: bonds (distance) C4'-P energy: -50.241 bonds (distance) P-C4' energy: -67.911 flat angles C4'-P-C4' energy: -65.728 flat angles P-C4'-P energy: -45.049 tors. eta vs tors. theta energy: -47.805 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: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -618.004492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.004492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.004492 (E_RNA) where: Base-Base interactions energy: -373.480 where: short stacking energy: -207.563 Base-Backbone interact. energy: -1.341 local terms energy: -243.184345 where: bonds (distance) C4'-P energy: -52.799 bonds (distance) P-C4' energy: -58.651 flat angles C4'-P-C4' energy: -52.609 flat angles P-C4'-P energy: -29.204 tors. eta vs tors. theta energy: -49.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -356.505294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.505294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.505294 (E_RNA) where: Base-Base interactions energy: -144.657 where: short stacking energy: -110.314 Base-Backbone interact. energy: 0.911 local terms energy: -212.759319 where: bonds (distance) C4'-P energy: -55.899 bonds (distance) P-C4' energy: -68.434 flat angles C4'-P-C4' energy: -56.330 flat angles P-C4'-P energy: -26.736 tors. eta vs tors. theta energy: -5.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -294.520616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.520616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.520616 (E_RNA) where: Base-Base interactions energy: -111.574 where: short stacking energy: -85.304 Base-Backbone interact. energy: 2.514 local terms energy: -185.460690 where: bonds (distance) C4'-P energy: -49.823 bonds (distance) P-C4' energy: -51.846 flat angles C4'-P-C4' energy: -52.651 flat angles P-C4'-P energy: -37.516 tors. eta vs tors. theta energy: 6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1187.027516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.027516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.027516 (E_RNA) where: Base-Base interactions energy: -818.995 where: short stacking energy: -380.803 Base-Backbone interact. energy: -0.739 local terms energy: -367.293805 where: bonds (distance) C4'-P energy: -62.827 bonds (distance) P-C4' energy: -70.954 flat angles C4'-P-C4' energy: -77.210 flat angles P-C4'-P energy: -53.932 tors. eta vs tors. theta energy: -102.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1114.027398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.027398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.027398 (E_RNA) where: Base-Base interactions energy: -758.956 where: short stacking energy: -334.906 Base-Backbone interact. energy: -0.328 local terms energy: -354.743544 where: bonds (distance) C4'-P energy: -70.839 bonds (distance) P-C4' energy: -63.155 flat angles C4'-P-C4' energy: -79.135 flat angles P-C4'-P energy: -49.250 tors. eta vs tors. theta energy: -92.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1041.364930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.364930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.364930 (E_RNA) where: Base-Base interactions energy: -688.795 where: short stacking energy: -322.507 Base-Backbone interact. energy: -0.256 local terms energy: -352.314039 where: bonds (distance) C4'-P energy: -69.612 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -67.595 flat angles P-C4'-P energy: -52.250 tors. eta vs tors. theta energy: -98.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1014.600721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.600721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.600721 (E_RNA) where: Base-Base interactions energy: -690.054 where: short stacking energy: -308.236 Base-Backbone interact. energy: -0.138 local terms energy: -324.408769 where: bonds (distance) C4'-P energy: -55.669 bonds (distance) P-C4' energy: -70.825 flat angles C4'-P-C4' energy: -71.755 flat angles P-C4'-P energy: -40.164 tors. eta vs tors. theta energy: -85.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -947.091066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.091066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.091066 (E_RNA) where: Base-Base interactions energy: -625.233 where: short stacking energy: -286.146 Base-Backbone interact. energy: -1.620 local terms energy: -320.238249 where: bonds (distance) C4'-P energy: -57.890 bonds (distance) P-C4' energy: -71.253 flat angles C4'-P-C4' energy: -69.670 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -78.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -841.588189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.588189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.588189 (E_RNA) where: Base-Base interactions energy: -535.159 where: short stacking energy: -240.666 Base-Backbone interact. energy: -0.806 local terms energy: -305.623208 where: bonds (distance) C4'-P energy: -66.709 bonds (distance) P-C4' energy: -63.104 flat angles C4'-P-C4' energy: -64.443 flat angles P-C4'-P energy: -49.522 tors. eta vs tors. theta energy: -61.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -758.629876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.629876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.629876 (E_RNA) where: Base-Base interactions energy: -476.828 where: short stacking energy: -231.404 Base-Backbone interact. energy: -1.062 local terms energy: -280.739583 where: bonds (distance) C4'-P energy: -59.993 bonds (distance) P-C4' energy: -65.611 flat angles C4'-P-C4' energy: -60.843 flat angles P-C4'-P energy: -40.246 tors. eta vs tors. theta energy: -54.046 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: 233 Temperature: 1.250000 Total energy: -615.173613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.173613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.173613 (E_RNA) where: Base-Base interactions energy: -353.709 where: short stacking energy: -197.215 Base-Backbone interact. energy: 0.137 local terms energy: -261.601506 where: bonds (distance) C4'-P energy: -60.064 bonds (distance) P-C4' energy: -62.481 flat angles C4'-P-C4' energy: -53.142 flat angles P-C4'-P energy: -37.654 tors. eta vs tors. theta energy: -48.260 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: 10 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -372.140234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.140234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.140234 (E_RNA) where: Base-Base interactions energy: -159.507 where: short stacking energy: -97.570 Base-Backbone interact. energy: -1.804 local terms energy: -210.828575 where: bonds (distance) C4'-P energy: -45.098 bonds (distance) P-C4' energy: -57.453 flat angles C4'-P-C4' energy: -63.116 flat angles P-C4'-P energy: -32.613 tors. eta vs tors. theta energy: -12.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -278.351025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.351025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.351025 (E_RNA) where: Base-Base interactions energy: -94.051 where: short stacking energy: -93.983 Base-Backbone interact. energy: 0.813 local terms energy: -185.113132 where: bonds (distance) C4'-P energy: -62.202 bonds (distance) P-C4' energy: -51.629 flat angles C4'-P-C4' energy: -43.929 flat angles P-C4'-P energy: -30.042 tors. eta vs tors. theta energy: 2.689 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: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1157.888417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.888417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.888417 (E_RNA) where: Base-Base interactions energy: -796.909 where: short stacking energy: -359.593 Base-Backbone interact. energy: -0.346 local terms energy: -360.633122 where: bonds (distance) C4'-P energy: -69.517 bonds (distance) P-C4' energy: -63.798 flat angles C4'-P-C4' energy: -79.370 flat angles P-C4'-P energy: -48.834 tors. eta vs tors. theta energy: -99.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1131.752254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.752254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.752254 (E_RNA) where: Base-Base interactions energy: -762.104 where: short stacking energy: -350.068 Base-Backbone interact. energy: -0.345 local terms energy: -369.303331 where: bonds (distance) C4'-P energy: -64.808 bonds (distance) P-C4' energy: -64.999 flat angles C4'-P-C4' energy: -73.081 flat angles P-C4'-P energy: -53.056 tors. eta vs tors. theta energy: -113.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1093.459503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.459503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.459503 (E_RNA) where: Base-Base interactions energy: -739.512 where: short stacking energy: -342.516 Base-Backbone interact. energy: -1.122 local terms energy: -352.825368 where: bonds (distance) C4'-P energy: -55.581 bonds (distance) P-C4' energy: -70.769 flat angles C4'-P-C4' energy: -76.411 flat angles P-C4'-P energy: -52.639 tors. eta vs tors. theta energy: -97.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1013.249747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.249747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.249747 (E_RNA) where: Base-Base interactions energy: -665.564 where: short stacking energy: -319.179 Base-Backbone interact. energy: -1.203 local terms energy: -346.481994 where: bonds (distance) C4'-P energy: -64.891 bonds (distance) P-C4' energy: -65.896 flat angles C4'-P-C4' energy: -73.282 flat angles P-C4'-P energy: -53.709 tors. eta vs tors. theta energy: -88.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -929.649975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.649975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.649975 (E_RNA) where: Base-Base interactions energy: -627.745 where: short stacking energy: -278.472 Base-Backbone interact. energy: -0.298 local terms energy: -301.606853 where: bonds (distance) C4'-P energy: -52.668 bonds (distance) P-C4' energy: -58.330 flat angles C4'-P-C4' energy: -63.983 flat angles P-C4'-P energy: -45.003 tors. eta vs tors. theta energy: -81.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -837.062678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.062678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.062678 (E_RNA) where: Base-Base interactions energy: -528.193 where: short stacking energy: -253.676 Base-Backbone interact. energy: 2.352 local terms energy: -311.222259 where: bonds (distance) C4'-P energy: -62.318 bonds (distance) P-C4' energy: -66.819 flat angles C4'-P-C4' energy: -66.153 flat angles P-C4'-P energy: -50.045 tors. eta vs tors. theta energy: -65.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -758.389248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.389248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.389248 (E_RNA) where: Base-Base interactions energy: -472.914 where: short stacking energy: -232.494 Base-Backbone interact. energy: -0.822 local terms energy: -284.652673 where: bonds (distance) C4'-P energy: -54.100 bonds (distance) P-C4' energy: -56.548 flat angles C4'-P-C4' energy: -62.673 flat angles P-C4'-P energy: -44.137 tors. eta vs tors. theta energy: -67.194 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: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -617.815119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.815119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.815119 (E_RNA) where: Base-Base interactions energy: -360.218 where: short stacking energy: -210.882 Base-Backbone interact. energy: -0.351 local terms energy: -257.245969 where: bonds (distance) C4'-P energy: -51.557 bonds (distance) P-C4' energy: -61.148 flat angles C4'-P-C4' energy: -65.998 flat angles P-C4'-P energy: -29.379 tors. eta vs tors. theta energy: -49.164 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: 10 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -384.682505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.682505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.682505 (E_RNA) where: Base-Base interactions energy: -173.609 where: short stacking energy: -119.727 Base-Backbone interact. energy: 0.837 local terms energy: -211.910572 where: bonds (distance) C4'-P energy: -55.064 bonds (distance) P-C4' energy: -65.563 flat angles C4'-P-C4' energy: -55.055 flat angles P-C4'-P energy: -23.162 tors. eta vs tors. theta energy: -13.066 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: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -273.278656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.278656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.278656 (E_RNA) where: Base-Base interactions energy: -77.972 where: short stacking energy: -75.132 Base-Backbone interact. energy: 3.069 local terms energy: -198.375603 where: bonds (distance) C4'-P energy: -61.544 bonds (distance) P-C4' energy: -65.793 flat angles C4'-P-C4' energy: -42.510 flat angles P-C4'-P energy: -34.653 tors. eta vs tors. theta energy: 6.125 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: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1169.104312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.104312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.104312 (E_RNA) where: Base-Base interactions energy: -776.881 where: short stacking energy: -358.537 Base-Backbone interact. energy: -1.900 local terms energy: -390.323651 where: bonds (distance) C4'-P energy: -66.888 bonds (distance) P-C4' energy: -74.351 flat angles C4'-P-C4' energy: -82.843 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: -106.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1137.421378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.421378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.421378 (E_RNA) where: Base-Base interactions energy: -763.509 where: short stacking energy: -351.067 Base-Backbone interact. energy: -0.746 local terms energy: -373.165912 where: bonds (distance) C4'-P energy: -67.867 bonds (distance) P-C4' energy: -69.439 flat angles C4'-P-C4' energy: -78.154 flat angles P-C4'-P energy: -43.930 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: 3, replica: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1093.446660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.446660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.446660 (E_RNA) where: Base-Base interactions energy: -739.553 where: short stacking energy: -339.931 Base-Backbone interact. energy: -1.081 local terms energy: -352.812057 where: bonds (distance) C4'-P energy: -62.055 bonds (distance) P-C4' energy: -77.002 flat angles C4'-P-C4' energy: -70.028 flat angles P-C4'-P energy: -51.030 tors. eta vs tors. theta energy: -92.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1022.498470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.498470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.498470 (E_RNA) where: Base-Base interactions energy: -671.248 where: short stacking energy: -316.357 Base-Backbone interact. energy: -1.492 local terms energy: -349.759344 where: bonds (distance) C4'-P energy: -60.287 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -76.337 flat angles P-C4'-P energy: -54.474 tors. eta vs tors. theta energy: -90.796 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: 5, replica: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -983.494954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.494954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.494954 (E_RNA) where: Base-Base interactions energy: -646.152 where: short stacking energy: -299.946 Base-Backbone interact. energy: -1.172 local terms energy: -336.170363 where: bonds (distance) C4'-P energy: -65.628 bonds (distance) P-C4' energy: -71.875 flat angles C4'-P-C4' energy: -66.277 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: -85.211 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: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -826.460147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.460147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.460147 (E_RNA) where: Base-Base interactions energy: -533.976 where: short stacking energy: -248.223 Base-Backbone interact. energy: -0.690 local terms energy: -291.794557 where: bonds (distance) C4'-P energy: -57.522 bonds (distance) P-C4' energy: -61.531 flat angles C4'-P-C4' energy: -60.282 flat angles P-C4'-P energy: -46.429 tors. eta vs tors. theta energy: -66.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -740.369955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.369955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.369955 (E_RNA) where: Base-Base interactions energy: -484.311 where: short stacking energy: -253.292 Base-Backbone interact. energy: -0.480 local terms energy: -255.578548 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -57.103 flat angles C4'-P-C4' energy: -57.190 flat angles P-C4'-P energy: -31.775 tors. eta vs tors. theta energy: -50.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -585.145164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.145164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.145164 (E_RNA) where: Base-Base interactions energy: -337.646 where: short stacking energy: -180.960 Base-Backbone interact. energy: 5.348 local terms energy: -252.848020 where: bonds (distance) C4'-P energy: -52.570 bonds (distance) P-C4' energy: -70.221 flat angles C4'-P-C4' energy: -51.093 flat angles P-C4'-P energy: -41.639 tors. eta vs tors. theta energy: -37.325 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: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -394.019888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.019888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.019888 (E_RNA) where: Base-Base interactions energy: -183.836 where: short stacking energy: -100.446 Base-Backbone interact. energy: 0.409 local terms energy: -210.593265 where: bonds (distance) C4'-P energy: -58.096 bonds (distance) P-C4' energy: -57.931 flat angles C4'-P-C4' energy: -56.088 flat angles P-C4'-P energy: -31.698 tors. eta vs tors. theta energy: -6.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -305.570580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.570580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.570580 (E_RNA) where: Base-Base interactions energy: -106.736 where: short stacking energy: -92.449 Base-Backbone interact. energy: 4.495 local terms energy: -203.329906 where: bonds (distance) C4'-P energy: -64.695 bonds (distance) P-C4' energy: -53.059 flat angles C4'-P-C4' energy: -56.153 flat angles P-C4'-P energy: -34.390 tors. eta vs tors. theta energy: 4.966 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: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1153.364196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.364196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.364196 (E_RNA) where: Base-Base interactions energy: -764.216 where: short stacking energy: -339.989 Base-Backbone interact. energy: -1.232 local terms energy: -387.916769 where: bonds (distance) C4'-P energy: -75.623 bonds (distance) P-C4' energy: -69.631 flat angles C4'-P-C4' energy: -77.460 flat angles P-C4'-P energy: -61.587 tors. eta vs tors. theta energy: -103.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1139.857002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.857002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.857002 (E_RNA) where: Base-Base interactions energy: -759.697 where: short stacking energy: -361.454 Base-Backbone interact. energy: -0.841 local terms energy: -379.319416 where: bonds (distance) C4'-P energy: -72.084 bonds (distance) P-C4' energy: -72.843 flat angles C4'-P-C4' energy: -74.693 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -106.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1080.283456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.283456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.283456 (E_RNA) where: Base-Base interactions energy: -737.100 where: short stacking energy: -342.571 Base-Backbone interact. energy: -0.686 local terms energy: -342.497936 where: bonds (distance) C4'-P energy: -62.005 bonds (distance) P-C4' energy: -61.261 flat angles C4'-P-C4' energy: -74.479 flat angles P-C4'-P energy: -44.451 tors. eta vs tors. theta energy: -100.301 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: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1023.880728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.880728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.880728 (E_RNA) where: Base-Base interactions energy: -667.642 where: short stacking energy: -314.377 Base-Backbone interact. energy: -1.361 local terms energy: -354.877204 where: bonds (distance) C4'-P energy: -74.816 bonds (distance) P-C4' energy: -70.741 flat angles C4'-P-C4' energy: -75.001 flat angles P-C4'-P energy: -52.745 tors. eta vs tors. theta energy: -81.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -974.704118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.704118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.704118 (E_RNA) where: Base-Base interactions energy: -660.861 where: short stacking energy: -319.436 Base-Backbone interact. energy: -0.592 local terms energy: -313.251336 where: bonds (distance) C4'-P energy: -54.780 bonds (distance) P-C4' energy: -53.693 flat angles C4'-P-C4' energy: -63.991 flat angles P-C4'-P energy: -48.786 tors. eta vs tors. theta energy: -92.001 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: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -846.243054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.243054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.243054 (E_RNA) where: Base-Base interactions energy: -540.373 where: short stacking energy: -238.084 Base-Backbone interact. energy: -0.524 local terms energy: -305.345460 where: bonds (distance) C4'-P energy: -60.776 bonds (distance) P-C4' energy: -73.764 flat angles C4'-P-C4' energy: -67.853 flat angles P-C4'-P energy: -51.667 tors. eta vs tors. theta energy: -51.286 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: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -814.324125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.324125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.324125 (E_RNA) where: Base-Base interactions energy: -504.613 where: short stacking energy: -232.931 Base-Backbone interact. energy: -2.137 local terms energy: -307.574176 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -76.479 flat angles C4'-P-C4' energy: -63.412 flat angles P-C4'-P energy: -46.819 tors. eta vs tors. theta energy: -57.818 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: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -589.786597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.786597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.786597 (E_RNA) where: Base-Base interactions energy: -354.268 where: short stacking energy: -191.913 Base-Backbone interact. energy: -1.085 local terms energy: -234.433402 where: bonds (distance) C4'-P energy: -56.792 bonds (distance) P-C4' energy: -53.453 flat angles C4'-P-C4' energy: -55.199 flat angles P-C4'-P energy: -33.078 tors. eta vs tors. theta energy: -35.911 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: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -328.147120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.147120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.147120 (E_RNA) where: Base-Base interactions energy: -140.221 where: short stacking energy: -100.001 Base-Backbone interact. energy: -1.370 local terms energy: -186.555658 where: bonds (distance) C4'-P energy: -41.105 bonds (distance) P-C4' energy: -60.191 flat angles C4'-P-C4' energy: -62.646 flat angles P-C4'-P energy: -21.875 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -315.148020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.148020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.148020 (E_RNA) where: Base-Base interactions energy: -136.717 where: short stacking energy: -96.708 Base-Backbone interact. energy: 0.452 local terms energy: -178.882750 where: bonds (distance) C4'-P energy: -55.317 bonds (distance) P-C4' energy: -60.806 flat angles C4'-P-C4' energy: -40.286 flat angles P-C4'-P energy: -39.847 tors. eta vs tors. theta energy: 17.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1144.469011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.469011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.469011 (E_RNA) where: Base-Base interactions energy: -766.217 where: short stacking energy: -341.783 Base-Backbone interact. energy: -0.418 local terms energy: -377.833677 where: bonds (distance) C4'-P energy: -65.634 bonds (distance) P-C4' energy: -82.722 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -50.735 tors. eta vs tors. theta energy: -108.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1139.588261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.588261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.588261 (E_RNA) where: Base-Base interactions energy: -759.992 where: short stacking energy: -367.011 Base-Backbone interact. energy: -1.142 local terms energy: -378.454649 where: bonds (distance) C4'-P energy: -64.684 bonds (distance) P-C4' energy: -68.706 flat angles C4'-P-C4' energy: -75.680 flat angles P-C4'-P energy: -53.726 tors. eta vs tors. theta energy: -115.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1084.219972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.219972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.219972 (E_RNA) where: Base-Base interactions energy: -703.016 where: short stacking energy: -318.423 Base-Backbone interact. energy: -0.759 local terms energy: -380.444983 where: bonds (distance) C4'-P energy: -70.907 bonds (distance) P-C4' energy: -79.437 flat angles C4'-P-C4' energy: -82.208 flat angles P-C4'-P energy: -49.970 tors. eta vs tors. theta energy: -97.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1048.872242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.872242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.872242 (E_RNA) where: Base-Base interactions energy: -688.946 where: short stacking energy: -328.965 Base-Backbone interact. energy: -0.161 local terms energy: -359.764885 where: bonds (distance) C4'-P energy: -59.536 bonds (distance) P-C4' energy: -71.975 flat angles C4'-P-C4' energy: -79.901 flat angles P-C4'-P energy: -45.353 tors. eta vs tors. theta energy: -103.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -968.025537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.025537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.025537 (E_RNA) where: Base-Base interactions energy: -653.363 where: short stacking energy: -304.831 Base-Backbone interact. energy: 6.239 local terms energy: -320.901606 where: bonds (distance) C4'-P energy: -68.425 bonds (distance) P-C4' energy: -70.790 flat angles C4'-P-C4' energy: -61.859 flat angles P-C4'-P energy: -41.433 tors. eta vs tors. theta energy: -78.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -836.654441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.654441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.654441 (E_RNA) where: Base-Base interactions energy: -543.671 where: short stacking energy: -268.489 Base-Backbone interact. energy: -0.057 local terms energy: -292.926133 where: bonds (distance) C4'-P energy: -51.705 bonds (distance) P-C4' energy: -63.509 flat angles C4'-P-C4' energy: -60.106 flat angles P-C4'-P energy: -44.867 tors. eta vs tors. theta energy: -72.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -786.759266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.759266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.759266 (E_RNA) where: Base-Base interactions energy: -501.586 where: short stacking energy: -234.345 Base-Backbone interact. energy: -0.398 local terms energy: -284.775801 where: bonds (distance) C4'-P energy: -62.611 bonds (distance) P-C4' energy: -64.385 flat angles C4'-P-C4' energy: -58.631 flat angles P-C4'-P energy: -39.061 tors. eta vs tors. theta energy: -60.088 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: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -585.010892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.010892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.010892 (E_RNA) where: Base-Base interactions energy: -351.107 where: short stacking energy: -189.963 Base-Backbone interact. energy: -0.139 local terms energy: -233.764716 where: bonds (distance) C4'-P energy: -56.143 bonds (distance) P-C4' energy: -54.827 flat angles C4'-P-C4' energy: -53.737 flat angles P-C4'-P energy: -35.008 tors. eta vs tors. theta energy: -34.050 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: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -422.462104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.462104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.462104 (E_RNA) where: Base-Base interactions energy: -205.636 where: short stacking energy: -128.544 Base-Backbone interact. energy: -1.231 local terms energy: -215.595732 where: bonds (distance) C4'-P energy: -54.402 bonds (distance) P-C4' energy: -61.526 flat angles C4'-P-C4' energy: -52.438 flat angles P-C4'-P energy: -28.339 tors. eta vs tors. theta energy: -18.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -320.354262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.354262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.354262 (E_RNA) where: Base-Base interactions energy: -124.278 where: short stacking energy: -86.758 Base-Backbone interact. energy: 0.917 local terms energy: -196.993002 where: bonds (distance) C4'-P energy: -54.976 bonds (distance) P-C4' energy: -69.383 flat angles C4'-P-C4' energy: -36.655 flat angles P-C4'-P energy: -40.270 tors. eta vs tors. theta energy: 4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1149.887026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.887026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.887026 (E_RNA) where: Base-Base interactions energy: -773.610 where: short stacking energy: -355.511 Base-Backbone interact. energy: 0.138 local terms energy: -376.414377 where: bonds (distance) C4'-P energy: -58.319 bonds (distance) P-C4' energy: -71.574 flat angles C4'-P-C4' energy: -78.179 flat angles P-C4'-P energy: -57.802 tors. eta vs tors. theta energy: -110.542 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: 1 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1138.244243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.244243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.244243 (E_RNA) where: Base-Base interactions energy: -754.543 where: short stacking energy: -370.547 Base-Backbone interact. energy: -1.230 local terms energy: -382.470400 where: bonds (distance) C4'-P energy: -69.835 bonds (distance) P-C4' energy: -71.812 flat angles C4'-P-C4' energy: -70.451 flat angles P-C4'-P energy: -60.464 tors. eta vs tors. theta energy: -109.908 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: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1066.396552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.396552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.396552 (E_RNA) where: Base-Base interactions energy: -725.185 where: short stacking energy: -332.504 Base-Backbone interact. energy: -1.740 local terms energy: -339.471214 where: bonds (distance) C4'-P energy: -56.538 bonds (distance) P-C4' energy: -62.115 flat angles C4'-P-C4' energy: -74.882 flat angles P-C4'-P energy: -51.939 tors. eta vs tors. theta energy: -93.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1013.177198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.177198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.177198 (E_RNA) where: Base-Base interactions energy: -676.793 where: short stacking energy: -313.857 Base-Backbone interact. energy: -1.895 local terms energy: -334.488623 where: bonds (distance) C4'-P energy: -62.208 bonds (distance) P-C4' energy: -62.889 flat angles C4'-P-C4' energy: -77.723 flat angles P-C4'-P energy: -41.131 tors. eta vs tors. theta energy: -90.537 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: 5 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -990.523497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.523497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.523497 (E_RNA) where: Base-Base interactions energy: -651.487 where: short stacking energy: -302.705 Base-Backbone interact. energy: -0.426 local terms energy: -338.609926 where: bonds (distance) C4'-P energy: -73.560 bonds (distance) P-C4' energy: -70.065 flat angles C4'-P-C4' energy: -70.543 flat angles P-C4'-P energy: -46.616 tors. eta vs tors. theta energy: -77.825 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: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -816.611358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.611358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.611358 (E_RNA) where: Base-Base interactions energy: -506.276 where: short stacking energy: -243.001 Base-Backbone interact. energy: -0.407 local terms energy: -309.928201 where: bonds (distance) C4'-P energy: -68.684 bonds (distance) P-C4' energy: -63.750 flat angles C4'-P-C4' energy: -69.293 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -61.988 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: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -825.382852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.382852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.382852 (E_RNA) where: Base-Base interactions energy: -547.962 where: short stacking energy: -240.728 Base-Backbone interact. energy: -0.912 local terms energy: -276.509297 where: bonds (distance) C4'-P energy: -63.010 bonds (distance) P-C4' energy: -67.621 flat angles C4'-P-C4' energy: -54.471 flat angles P-C4'-P energy: -36.608 tors. eta vs tors. theta energy: -54.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -629.475352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.475352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.475352 (E_RNA) where: Base-Base interactions energy: -386.769 where: short stacking energy: -207.637 Base-Backbone interact. energy: -2.302 local terms energy: -240.403609 where: bonds (distance) C4'-P energy: -44.998 bonds (distance) P-C4' energy: -58.408 flat angles C4'-P-C4' energy: -58.563 flat angles P-C4'-P energy: -36.587 tors. eta vs tors. theta energy: -41.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -337.485511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.485511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.485511 (E_RNA) where: Base-Base interactions energy: -152.491 where: short stacking energy: -115.161 Base-Backbone interact. energy: -0.990 local terms energy: -184.004177 where: bonds (distance) C4'-P energy: -52.459 bonds (distance) P-C4' energy: -43.759 flat angles C4'-P-C4' energy: -53.982 flat angles P-C4'-P energy: -27.656 tors. eta vs tors. theta energy: -6.149 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: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -376.166542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.166542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.166542 (E_RNA) where: Base-Base interactions energy: -190.910 where: short stacking energy: -103.024 Base-Backbone interact. energy: 0.200 local terms energy: -185.457158 where: bonds (distance) C4'-P energy: -50.350 bonds (distance) P-C4' energy: -45.047 flat angles C4'-P-C4' energy: -45.846 flat angles P-C4'-P energy: -38.762 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1141.817339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.817339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.817339 (E_RNA) where: Base-Base interactions energy: -773.461 where: short stacking energy: -365.659 Base-Backbone interact. energy: -1.588 local terms energy: -366.769245 where: bonds (distance) C4'-P energy: -71.680 bonds (distance) P-C4' energy: -68.873 flat angles C4'-P-C4' energy: -70.021 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -110.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1144.819496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.819496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.819496 (E_RNA) where: Base-Base interactions energy: -778.076 where: short stacking energy: -383.022 Base-Backbone interact. energy: -1.055 local terms energy: -365.689284 where: bonds (distance) C4'-P energy: -57.148 bonds (distance) P-C4' energy: -75.143 flat angles C4'-P-C4' energy: -71.626 flat angles P-C4'-P energy: -50.654 tors. eta vs tors. theta energy: -111.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1051.188625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.188625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.188625 (E_RNA) where: Base-Base interactions energy: -695.808 where: short stacking energy: -320.700 Base-Backbone interact. energy: -0.908 local terms energy: -354.472948 where: bonds (distance) C4'-P energy: -67.922 bonds (distance) P-C4' energy: -70.264 flat angles C4'-P-C4' energy: -75.343 flat angles P-C4'-P energy: -56.137 tors. eta vs tors. theta energy: -84.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1022.125560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.125560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.125560 (E_RNA) where: Base-Base interactions energy: -683.107 where: short stacking energy: -318.753 Base-Backbone interact. energy: -0.914 local terms energy: -338.104614 where: bonds (distance) C4'-P energy: -55.412 bonds (distance) P-C4' energy: -60.446 flat angles C4'-P-C4' energy: -84.760 flat angles P-C4'-P energy: -46.777 tors. eta vs tors. theta energy: -90.708 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: 239 Temperature: 1.100000 Total energy: -968.506098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.506098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.506098 (E_RNA) where: Base-Base interactions energy: -648.368 where: short stacking energy: -296.177 Base-Backbone interact. energy: -0.293 local terms energy: -319.845407 where: bonds (distance) C4'-P energy: -53.433 bonds (distance) P-C4' energy: -66.117 flat angles C4'-P-C4' energy: -68.462 flat angles P-C4'-P energy: -47.489 tors. eta vs tors. theta energy: -84.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -784.936068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.936068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.936068 (E_RNA) where: Base-Base interactions energy: -490.326 where: short stacking energy: -252.140 Base-Backbone interact. energy: -0.870 local terms energy: -293.740806 where: bonds (distance) C4'-P energy: -56.282 bonds (distance) P-C4' energy: -61.199 flat angles C4'-P-C4' energy: -68.053 flat angles P-C4'-P energy: -50.731 tors. eta vs tors. theta energy: -57.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -818.866447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.866447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.866447 (E_RNA) where: Base-Base interactions energy: -530.324 where: short stacking energy: -236.803 Base-Backbone interact. energy: -2.007 local terms energy: -286.535565 where: bonds (distance) C4'-P energy: -57.828 bonds (distance) P-C4' energy: -68.766 flat angles C4'-P-C4' energy: -60.963 flat angles P-C4'-P energy: -37.083 tors. eta vs tors. theta energy: -61.895 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: 8, replica: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -612.285508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.285508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.285508 (E_RNA) where: Base-Base interactions energy: -341.227 where: short stacking energy: -188.494 Base-Backbone interact. energy: -1.399 local terms energy: -269.660171 where: bonds (distance) C4'-P energy: -64.051 bonds (distance) P-C4' energy: -40.421 flat angles C4'-P-C4' energy: -74.383 flat angles P-C4'-P energy: -51.742 tors. eta vs tors. theta energy: -39.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -370.303159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.303159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.303159 (E_RNA) where: Base-Base interactions energy: -157.471 where: short stacking energy: -107.111 Base-Backbone interact. energy: -0.333 local terms energy: -212.499305 where: bonds (distance) C4'-P energy: -55.679 bonds (distance) P-C4' energy: -72.191 flat angles C4'-P-C4' energy: -58.060 flat angles P-C4'-P energy: -20.361 tors. eta vs tors. theta energy: -6.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -359.913737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.913737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.913737 (E_RNA) where: Base-Base interactions energy: -180.629 where: short stacking energy: -119.623 Base-Backbone interact. energy: 3.719 local terms energy: -183.003245 where: bonds (distance) C4'-P energy: -53.087 bonds (distance) P-C4' energy: -57.597 flat angles C4'-P-C4' energy: -36.494 flat angles P-C4'-P energy: -25.501 tors. eta vs tors. theta energy: -10.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1154.898100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.898100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.898100 (E_RNA) where: Base-Base interactions energy: -771.245 where: short stacking energy: -347.585 Base-Backbone interact. energy: -2.568 local terms energy: -381.085407 where: bonds (distance) C4'-P energy: -64.312 bonds (distance) P-C4' energy: -74.860 flat angles C4'-P-C4' energy: -78.572 flat angles P-C4'-P energy: -55.073 tors. eta vs tors. theta energy: -108.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1128.599867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.599867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.599867 (E_RNA) where: Base-Base interactions energy: -763.108 where: short stacking energy: -350.685 Base-Backbone interact. energy: -0.555 local terms energy: -364.937055 where: bonds (distance) C4'-P energy: -70.816 bonds (distance) P-C4' energy: -75.354 flat angles C4'-P-C4' energy: -79.177 flat angles P-C4'-P energy: -46.880 tors. eta vs tors. theta energy: -92.711 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: 3, replica: 4 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1060.093489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.093489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.093489 (E_RNA) where: Base-Base interactions energy: -684.779 where: short stacking energy: -336.858 Base-Backbone interact. energy: -1.155 local terms energy: -374.159808 where: bonds (distance) C4'-P energy: -73.492 bonds (distance) P-C4' energy: -67.634 flat angles C4'-P-C4' energy: -72.963 flat angles P-C4'-P energy: -57.665 tors. eta vs tors. theta energy: -102.406 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: 4, replica: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1016.796983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.796983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.796983 (E_RNA) where: Base-Base interactions energy: -682.128 where: short stacking energy: -307.236 Base-Backbone interact. energy: -0.841 local terms energy: -333.828227 where: bonds (distance) C4'-P energy: -63.029 bonds (distance) P-C4' energy: -64.357 flat angles C4'-P-C4' energy: -75.367 flat angles P-C4'-P energy: -38.475 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: 5, replica: 5 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -964.161052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.161052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.161052 (E_RNA) where: Base-Base interactions energy: -633.430 where: short stacking energy: -290.013 Base-Backbone interact. energy: 0.298 local terms energy: -331.028373 where: bonds (distance) C4'-P energy: -59.030 bonds (distance) P-C4' energy: -63.544 flat angles C4'-P-C4' energy: -74.330 flat angles P-C4'-P energy: -50.751 tors. eta vs tors. theta energy: -83.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -827.627655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.627655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.627655 (E_RNA) where: Base-Base interactions energy: -520.812 where: short stacking energy: -255.590 Base-Backbone interact. energy: 0.079 local terms energy: -306.895543 where: bonds (distance) C4'-P energy: -56.068 bonds (distance) P-C4' energy: -69.584 flat angles C4'-P-C4' energy: -65.217 flat angles P-C4'-P energy: -49.158 tors. eta vs tors. theta energy: -66.869 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: 240 Temperature: 1.200000 Total energy: -767.480991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.480991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.480991 (E_RNA) where: Base-Base interactions energy: -499.356 where: short stacking energy: -228.241 Base-Backbone interact. energy: 1.710 local terms energy: -269.834660 where: bonds (distance) C4'-P energy: -50.662 bonds (distance) P-C4' energy: -61.114 flat angles C4'-P-C4' energy: -65.965 flat angles P-C4'-P energy: -32.666 tors. eta vs tors. theta energy: -59.428 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: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -602.956104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.956104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.956104 (E_RNA) where: Base-Base interactions energy: -344.102 where: short stacking energy: -174.086 Base-Backbone interact. energy: -1.439 local terms energy: -257.415301 where: bonds (distance) C4'-P energy: -65.738 bonds (distance) P-C4' energy: -62.765 flat angles C4'-P-C4' energy: -51.881 flat angles P-C4'-P energy: -41.073 tors. eta vs tors. theta energy: -35.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -387.317359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.317359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.317359 (E_RNA) where: Base-Base interactions energy: -169.498 where: short stacking energy: -100.617 Base-Backbone interact. energy: 1.852 local terms energy: -219.671860 where: bonds (distance) C4'-P energy: -59.085 bonds (distance) P-C4' energy: -61.428 flat angles C4'-P-C4' energy: -51.989 flat angles P-C4'-P energy: -32.611 tors. eta vs tors. theta energy: -14.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -363.858055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.858055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.858055 (E_RNA) where: Base-Base interactions energy: -170.858 where: short stacking energy: -112.684 Base-Backbone interact. energy: -2.858 local terms energy: -190.141408 where: bonds (distance) C4'-P energy: -51.705 bonds (distance) P-C4' energy: -62.021 flat angles C4'-P-C4' energy: -40.387 flat angles P-C4'-P energy: -29.098 tors. eta vs tors. theta energy: -6.930 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: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1174.135618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.135618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.135618 (E_RNA) where: Base-Base interactions energy: -795.944 where: short stacking energy: -363.642 Base-Backbone interact. energy: -0.565 local terms energy: -377.626002 where: bonds (distance) C4'-P energy: -68.134 bonds (distance) P-C4' energy: -75.364 flat angles C4'-P-C4' energy: -69.724 flat angles P-C4'-P energy: -55.579 tors. eta vs tors. theta energy: -108.825 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: 1 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1144.440006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.440006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.440006 (E_RNA) where: Base-Base interactions energy: -766.785 where: short stacking energy: -373.544 Base-Backbone interact. energy: -0.942 local terms energy: -376.713120 where: bonds (distance) C4'-P energy: -60.173 bonds (distance) P-C4' energy: -71.770 flat angles C4'-P-C4' energy: -86.398 flat angles P-C4'-P energy: -48.763 tors. eta vs tors. theta energy: -109.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1052.286057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.286057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.286057 (E_RNA) where: Base-Base interactions energy: -707.358 where: short stacking energy: -344.756 Base-Backbone interact. energy: 0.500 local terms energy: -345.427849 where: bonds (distance) C4'-P energy: -65.560 bonds (distance) P-C4' energy: -61.983 flat angles C4'-P-C4' energy: -69.616 flat angles P-C4'-P energy: -50.467 tors. eta vs tors. theta energy: -97.801 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: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1059.099264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.099264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.099264 (E_RNA) where: Base-Base interactions energy: -707.737 where: short stacking energy: -342.612 Base-Backbone interact. energy: 2.160 local terms energy: -353.523140 where: bonds (distance) C4'-P energy: -62.835 bonds (distance) P-C4' energy: -67.096 flat angles C4'-P-C4' energy: -73.546 flat angles P-C4'-P energy: -50.228 tors. eta vs tors. theta energy: -99.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -990.171747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.171747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.171747 (E_RNA) where: Base-Base interactions energy: -679.310 where: short stacking energy: -321.398 Base-Backbone interact. energy: -1.671 local terms energy: -309.190726 where: bonds (distance) C4'-P energy: -57.280 bonds (distance) P-C4' energy: -63.888 flat angles C4'-P-C4' energy: -67.735 flat angles P-C4'-P energy: -36.724 tors. eta vs tors. theta energy: -83.563 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: 6, replica: 2 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -800.206813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.206813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.206813 (E_RNA) where: Base-Base interactions energy: -500.007 where: short stacking energy: -221.134 Base-Backbone interact. energy: -1.305 local terms energy: -298.894339 where: bonds (distance) C4'-P energy: -65.058 bonds (distance) P-C4' energy: -67.225 flat angles C4'-P-C4' energy: -54.828 flat angles P-C4'-P energy: -44.797 tors. eta vs tors. theta energy: -66.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -759.576270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.576270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.576270 (E_RNA) where: Base-Base interactions energy: -483.501 where: short stacking energy: -241.507 Base-Backbone interact. energy: -0.794 local terms energy: -275.281257 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -58.177 flat angles C4'-P-C4' energy: -62.538 flat angles P-C4'-P energy: -39.329 tors. eta vs tors. theta energy: -56.065 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: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -628.899508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.899508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.899508 (E_RNA) where: Base-Base interactions energy: -377.989 where: short stacking energy: -205.676 Base-Backbone interact. energy: -0.081 local terms energy: -250.828897 where: bonds (distance) C4'-P energy: -58.465 bonds (distance) P-C4' energy: -59.930 flat angles C4'-P-C4' energy: -61.593 flat angles P-C4'-P energy: -27.701 tors. eta vs tors. theta energy: -43.140 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: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -377.988829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.988829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.988829 (E_RNA) where: Base-Base interactions energy: -177.019 where: short stacking energy: -111.640 Base-Backbone interact. energy: -0.998 local terms energy: -199.971862 where: bonds (distance) C4'-P energy: -62.399 bonds (distance) P-C4' energy: -54.851 flat angles C4'-P-C4' energy: -50.132 flat angles P-C4'-P energy: -24.889 tors. eta vs tors. theta energy: -7.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -349.301971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.301971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.301971 (E_RNA) where: Base-Base interactions energy: -148.864 where: short stacking energy: -97.170 Base-Backbone interact. energy: -1.143 local terms energy: -199.294757 where: bonds (distance) C4'-P energy: -67.284 bonds (distance) P-C4' energy: -55.391 flat angles C4'-P-C4' energy: -39.400 flat angles P-C4'-P energy: -36.049 tors. eta vs tors. theta energy: -1.171 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: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1170.262915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.262915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.262915 (E_RNA) where: Base-Base interactions energy: -788.691 where: short stacking energy: -367.796 Base-Backbone interact. energy: -0.459 local terms energy: -381.113457 where: bonds (distance) C4'-P energy: -68.378 bonds (distance) P-C4' energy: -70.812 flat angles C4'-P-C4' energy: -74.734 flat angles P-C4'-P energy: -54.518 tors. eta vs tors. theta energy: -112.672 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: 1 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1138.425346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.425346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.425346 (E_RNA) where: Base-Base interactions energy: -766.109 where: short stacking energy: -352.419 Base-Backbone interact. energy: -0.410 local terms energy: -371.906494 where: bonds (distance) C4'-P energy: -64.958 bonds (distance) P-C4' energy: -76.777 flat angles C4'-P-C4' energy: -76.727 flat angles P-C4'-P energy: -50.722 tors. eta vs tors. theta energy: -102.723 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: 4 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1061.698709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.698709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.698709 (E_RNA) where: Base-Base interactions energy: -694.764 where: short stacking energy: -331.718 Base-Backbone interact. energy: -0.883 local terms energy: -366.051587 where: bonds (distance) C4'-P energy: -70.126 bonds (distance) P-C4' energy: -69.079 flat angles C4'-P-C4' energy: -78.576 flat angles P-C4'-P energy: -43.135 tors. eta vs tors. theta energy: -105.137 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: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1024.426836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.426836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.426836 (E_RNA) where: Base-Base interactions energy: -695.597 where: short stacking energy: -319.079 Base-Backbone interact. energy: -0.669 local terms energy: -328.160623 where: bonds (distance) C4'-P energy: -50.701 bonds (distance) P-C4' energy: -69.315 flat angles C4'-P-C4' energy: -71.023 flat angles P-C4'-P energy: -36.148 tors. eta vs tors. theta energy: -100.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -971.217571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.217571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.217571 (E_RNA) where: Base-Base interactions energy: -656.616 where: short stacking energy: -298.701 Base-Backbone interact. energy: -0.471 local terms energy: -314.130394 where: bonds (distance) C4'-P energy: -57.866 bonds (distance) P-C4' energy: -62.197 flat angles C4'-P-C4' energy: -71.726 flat angles P-C4'-P energy: -38.586 tors. eta vs tors. theta energy: -83.755 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: 2 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -734.222956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.222956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.222956 (E_RNA) where: Base-Base interactions energy: -446.774 where: short stacking energy: -192.843 Base-Backbone interact. energy: -0.443 local terms energy: -287.005970 where: bonds (distance) C4'-P energy: -54.358 bonds (distance) P-C4' energy: -80.609 flat angles C4'-P-C4' energy: -56.060 flat angles P-C4'-P energy: -45.772 tors. eta vs tors. theta energy: -50.208 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: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -743.026341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.026341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.026341 (E_RNA) where: Base-Base interactions energy: -469.644 where: short stacking energy: -217.226 Base-Backbone interact. energy: 0.602 local terms energy: -273.983990 where: bonds (distance) C4'-P energy: -53.188 bonds (distance) P-C4' energy: -57.757 flat angles C4'-P-C4' energy: -66.216 flat angles P-C4'-P energy: -42.549 tors. eta vs tors. theta energy: -54.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -615.892455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.892455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.892455 (E_RNA) where: Base-Base interactions energy: -374.281 where: short stacking energy: -197.603 Base-Backbone interact. energy: 2.254 local terms energy: -243.865062 where: bonds (distance) C4'-P energy: -53.157 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -57.944 flat angles P-C4'-P energy: -32.055 tors. eta vs tors. theta energy: -40.021 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: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -383.178585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.178585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.178585 (E_RNA) where: Base-Base interactions energy: -187.643 where: short stacking energy: -112.085 Base-Backbone interact. energy: -1.417 local terms energy: -194.118070 where: bonds (distance) C4'-P energy: -59.498 bonds (distance) P-C4' energy: -54.257 flat angles C4'-P-C4' energy: -37.236 flat angles P-C4'-P energy: -43.359 tors. eta vs tors. theta energy: 0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -357.501798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.501798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.501798 (E_RNA) where: Base-Base interactions energy: -187.721 where: short stacking energy: -115.294 Base-Backbone interact. energy: 2.647 local terms energy: -172.427709 where: bonds (distance) C4'-P energy: -44.801 bonds (distance) P-C4' energy: -57.645 flat angles C4'-P-C4' energy: -54.078 flat angles P-C4'-P energy: -21.812 tors. eta vs tors. theta energy: 5.908 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: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1157.183709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.183709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.183709 (E_RNA) where: Base-Base interactions energy: -777.496 where: short stacking energy: -353.694 Base-Backbone interact. energy: 2.139 local terms energy: -381.826295 where: bonds (distance) C4'-P energy: -73.682 bonds (distance) P-C4' energy: -73.955 flat angles C4'-P-C4' energy: -73.045 flat angles P-C4'-P energy: -57.492 tors. eta vs tors. theta energy: -103.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1155.826207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.826207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.826207 (E_RNA) where: Base-Base interactions energy: -771.788 where: short stacking energy: -362.062 Base-Backbone interact. energy: -1.808 local terms energy: -382.230027 where: bonds (distance) C4'-P energy: -69.940 bonds (distance) P-C4' energy: -66.868 flat angles C4'-P-C4' energy: -83.941 flat angles P-C4'-P energy: -52.753 tors. eta vs tors. theta energy: -108.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1059.803492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.803492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.803492 (E_RNA) where: Base-Base interactions energy: -688.468 where: short stacking energy: -324.919 Base-Backbone interact. energy: -1.372 local terms energy: -369.963703 where: bonds (distance) C4'-P energy: -64.325 bonds (distance) P-C4' energy: -66.939 flat angles C4'-P-C4' energy: -80.709 flat angles P-C4'-P energy: -56.487 tors. eta vs tors. theta energy: -101.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1034.386810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.386810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.386810 (E_RNA) where: Base-Base interactions energy: -691.215 where: short stacking energy: -317.440 Base-Backbone interact. energy: -0.497 local terms energy: -342.674154 where: bonds (distance) C4'-P energy: -62.202 bonds (distance) P-C4' energy: -62.795 flat angles C4'-P-C4' energy: -74.949 flat angles P-C4'-P energy: -44.900 tors. eta vs tors. theta energy: -97.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -949.646221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.646221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.646221 (E_RNA) where: Base-Base interactions energy: -625.926 where: short stacking energy: -294.914 Base-Backbone interact. energy: -0.702 local terms energy: -323.017898 where: bonds (distance) C4'-P energy: -53.061 bonds (distance) P-C4' energy: -62.488 flat angles C4'-P-C4' energy: -77.579 flat angles P-C4'-P energy: -43.755 tors. eta vs tors. theta energy: -86.135 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: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -825.492549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.492549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.492549 (E_RNA) where: Base-Base interactions energy: -522.767 where: short stacking energy: -267.299 Base-Backbone interact. energy: -0.893 local terms energy: -301.831940 where: bonds (distance) C4'-P energy: -62.948 bonds (distance) P-C4' energy: -67.896 flat angles C4'-P-C4' energy: -71.302 flat angles P-C4'-P energy: -33.831 tors. eta vs tors. theta energy: -65.855 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: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -704.252709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.252709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.252709 (E_RNA) where: Base-Base interactions energy: -419.720 where: short stacking energy: -184.857 Base-Backbone interact. energy: -0.340 local terms energy: -284.193142 where: bonds (distance) C4'-P energy: -66.105 bonds (distance) P-C4' energy: -62.091 flat angles C4'-P-C4' energy: -74.077 flat angles P-C4'-P energy: -39.360 tors. eta vs tors. theta energy: -42.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -615.088009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.088009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.088009 (E_RNA) where: Base-Base interactions energy: -404.495 where: short stacking energy: -212.865 Base-Backbone interact. energy: -0.461 local terms energy: -210.132893 where: bonds (distance) C4'-P energy: -46.751 bonds (distance) P-C4' energy: -50.134 flat angles C4'-P-C4' energy: -41.966 flat angles P-C4'-P energy: -31.386 tors. eta vs tors. theta energy: -39.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -344.626599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.626599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.626599 (E_RNA) where: Base-Base interactions energy: -154.214 where: short stacking energy: -111.216 Base-Backbone interact. energy: -0.868 local terms energy: -189.544373 where: bonds (distance) C4'-P energy: -58.144 bonds (distance) P-C4' energy: -52.668 flat angles C4'-P-C4' energy: -50.117 flat angles P-C4'-P energy: -24.670 tors. eta vs tors. theta energy: -3.945 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: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -273.349751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.349751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.349751 (E_RNA) where: Base-Base interactions energy: -88.480 where: short stacking energy: -72.961 Base-Backbone interact. energy: -2.013 local terms energy: -182.856279 where: bonds (distance) C4'-P energy: -58.679 bonds (distance) P-C4' energy: -55.821 flat angles C4'-P-C4' energy: -52.196 flat angles P-C4'-P energy: -23.951 tors. eta vs tors. theta energy: 7.790 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: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1184.634666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.634666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.634666 (E_RNA) where: Base-Base interactions energy: -792.457 where: short stacking energy: -386.878 Base-Backbone interact. energy: -1.634 local terms energy: -390.543650 where: bonds (distance) C4'-P energy: -75.984 bonds (distance) P-C4' energy: -66.036 flat angles C4'-P-C4' energy: -85.689 flat angles P-C4'-P energy: -48.023 tors. eta vs tors. theta energy: -114.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1124.784569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.784569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.784569 (E_RNA) where: Base-Base interactions energy: -748.217 where: short stacking energy: -329.391 Base-Backbone interact. energy: -0.809 local terms energy: -375.758261 where: bonds (distance) C4'-P energy: -64.433 bonds (distance) P-C4' energy: -66.731 flat angles C4'-P-C4' energy: -83.363 flat angles P-C4'-P energy: -60.926 tors. eta vs tors. theta energy: -100.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1075.885971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.885971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.885971 (E_RNA) where: Base-Base interactions energy: -713.374 where: short stacking energy: -335.174 Base-Backbone interact. energy: 0.232 local terms energy: -362.744114 where: bonds (distance) C4'-P energy: -53.927 bonds (distance) P-C4' energy: -75.398 flat angles C4'-P-C4' energy: -71.497 flat angles P-C4'-P energy: -55.610 tors. eta vs tors. theta energy: -106.312 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: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1063.987113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.987113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.987113 (E_RNA) where: Base-Base interactions energy: -698.968 where: short stacking energy: -337.130 Base-Backbone interact. energy: -1.276 local terms energy: -363.742993 where: bonds (distance) C4'-P energy: -64.760 bonds (distance) P-C4' energy: -67.896 flat angles C4'-P-C4' energy: -71.001 flat angles P-C4'-P energy: -53.896 tors. eta vs tors. theta energy: -106.190 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: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1000.520562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.520562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.520562 (E_RNA) where: Base-Base interactions energy: -665.780 where: short stacking energy: -296.980 Base-Backbone interact. energy: 0.398 local terms energy: -335.138673 where: bonds (distance) C4'-P energy: -61.216 bonds (distance) P-C4' energy: -69.275 flat angles C4'-P-C4' energy: -66.294 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: -90.585 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: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -839.774770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.774770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.774770 (E_RNA) where: Base-Base interactions energy: -534.083 where: short stacking energy: -269.512 Base-Backbone interact. energy: -1.417 local terms energy: -304.274083 where: bonds (distance) C4'-P energy: -64.626 bonds (distance) P-C4' energy: -67.111 flat angles C4'-P-C4' energy: -57.203 flat angles P-C4'-P energy: -40.785 tors. eta vs tors. theta energy: -74.549 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: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -727.253945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.253945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.253945 (E_RNA) where: Base-Base interactions energy: -449.009 where: short stacking energy: -210.103 Base-Backbone interact. energy: 5.210 local terms energy: -283.455051 where: bonds (distance) C4'-P energy: -64.931 bonds (distance) P-C4' energy: -68.028 flat angles C4'-P-C4' energy: -52.333 flat angles P-C4'-P energy: -44.807 tors. eta vs tors. theta energy: -53.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -587.142516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.142516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.142516 (E_RNA) where: Base-Base interactions energy: -355.371 where: short stacking energy: -190.073 Base-Backbone interact. energy: 2.584 local terms energy: -234.354862 where: bonds (distance) C4'-P energy: -50.637 bonds (distance) P-C4' energy: -55.042 flat angles C4'-P-C4' energy: -69.762 flat angles P-C4'-P energy: -24.728 tors. eta vs tors. theta energy: -34.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -314.095243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.095243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.095243 (E_RNA) where: Base-Base interactions energy: -110.496 where: short stacking energy: -91.432 Base-Backbone interact. energy: -1.055 local terms energy: -202.543938 where: bonds (distance) C4'-P energy: -54.308 bonds (distance) P-C4' energy: -61.259 flat angles C4'-P-C4' energy: -56.799 flat angles P-C4'-P energy: -28.438 tors. eta vs tors. theta energy: -1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -325.267029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.267029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.267029 (E_RNA) where: Base-Base interactions energy: -132.314 where: short stacking energy: -78.113 Base-Backbone interact. energy: 2.761 local terms energy: -195.714056 where: bonds (distance) C4'-P energy: -58.401 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -53.704 flat angles P-C4'-P energy: -25.093 tors. eta vs tors. theta energy: 6.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1172.643483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.643483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.643483 (E_RNA) where: Base-Base interactions energy: -801.040 where: short stacking energy: -366.303 Base-Backbone interact. energy: -0.531 local terms energy: -371.072419 where: bonds (distance) C4'-P energy: -71.589 bonds (distance) P-C4' energy: -63.564 flat angles C4'-P-C4' energy: -75.399 flat angles P-C4'-P energy: -47.510 tors. eta vs tors. theta energy: -113.011 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: 245 Temperature: 0.950000 Total energy: -1132.559147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.559147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.559147 (E_RNA) where: Base-Base interactions energy: -772.808 where: short stacking energy: -362.050 Base-Backbone interact. energy: -1.208 local terms energy: -358.543078 where: bonds (distance) C4'-P energy: -51.630 bonds (distance) P-C4' energy: -71.508 flat angles C4'-P-C4' energy: -76.323 flat angles P-C4'-P energy: -40.763 tors. eta vs tors. theta energy: -118.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1057.407920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.407920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.407920 (E_RNA) where: Base-Base interactions energy: -700.054 where: short stacking energy: -329.440 Base-Backbone interact. energy: -1.329 local terms energy: -356.024947 where: bonds (distance) C4'-P energy: -66.333 bonds (distance) P-C4' energy: -74.616 flat angles C4'-P-C4' energy: -78.629 flat angles P-C4'-P energy: -39.654 tors. eta vs tors. theta energy: -96.793 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: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1029.885834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.885834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.885834 (E_RNA) where: Base-Base interactions energy: -684.489 where: short stacking energy: -326.013 Base-Backbone interact. energy: -1.401 local terms energy: -343.996190 where: bonds (distance) C4'-P energy: -70.063 bonds (distance) P-C4' energy: -55.423 flat angles C4'-P-C4' energy: -78.195 flat angles P-C4'-P energy: -43.627 tors. eta vs tors. theta energy: -96.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -978.036737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.036737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.036737 (E_RNA) where: Base-Base interactions energy: -660.447 where: short stacking energy: -310.749 Base-Backbone interact. energy: -1.153 local terms energy: -316.436381 where: bonds (distance) C4'-P energy: -55.182 bonds (distance) P-C4' energy: -62.542 flat angles C4'-P-C4' energy: -67.476 flat angles P-C4'-P energy: -47.945 tors. eta vs tors. theta energy: -83.291 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: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -824.801556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.801556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.801556 (E_RNA) where: Base-Base interactions energy: -514.441 where: short stacking energy: -266.747 Base-Backbone interact. energy: -1.224 local terms energy: -309.136360 where: bonds (distance) C4'-P energy: -55.386 bonds (distance) P-C4' energy: -68.461 flat angles C4'-P-C4' energy: -65.557 flat angles P-C4'-P energy: -48.498 tors. eta vs tors. theta energy: -71.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -713.479979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.479979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.479979 (E_RNA) where: Base-Base interactions energy: -436.992 where: short stacking energy: -212.980 Base-Backbone interact. energy: 2.296 local terms energy: -278.783897 where: bonds (distance) C4'-P energy: -67.672 bonds (distance) P-C4' energy: -60.742 flat angles C4'-P-C4' energy: -60.668 flat angles P-C4'-P energy: -42.026 tors. eta vs tors. theta energy: -47.676 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: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -621.332202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.332202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.332202 (E_RNA) where: Base-Base interactions energy: -363.316 where: short stacking energy: -193.193 Base-Backbone interact. energy: -0.991 local terms energy: -257.024549 where: bonds (distance) C4'-P energy: -75.674 bonds (distance) P-C4' energy: -61.544 flat angles C4'-P-C4' energy: -66.487 flat angles P-C4'-P energy: -17.996 tors. eta vs tors. theta energy: -35.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -348.348520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.348520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.348520 (E_RNA) where: Base-Base interactions energy: -155.590 where: short stacking energy: -116.834 Base-Backbone interact. energy: -0.632 local terms energy: -192.127248 where: bonds (distance) C4'-P energy: -56.136 bonds (distance) P-C4' energy: -48.965 flat angles C4'-P-C4' energy: -56.598 flat angles P-C4'-P energy: -31.595 tors. eta vs tors. theta energy: 1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -271.539550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.539550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.539550 (E_RNA) where: Base-Base interactions energy: -98.873 where: short stacking energy: -66.797 Base-Backbone interact. energy: 5.447 local terms energy: -178.113399 where: bonds (distance) C4'-P energy: -59.962 bonds (distance) P-C4' energy: -54.587 flat angles C4'-P-C4' energy: -48.829 flat angles P-C4'-P energy: -30.027 tors. eta vs tors. theta energy: 15.292 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: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1168.339902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.339902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.339902 (E_RNA) where: Base-Base interactions energy: -795.518 where: short stacking energy: -381.964 Base-Backbone interact. energy: -0.966 local terms energy: -371.855943 where: bonds (distance) C4'-P energy: -75.313 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -77.594 flat angles P-C4'-P energy: -42.360 tors. eta vs tors. theta energy: -113.859 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: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1162.161835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.161835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.161835 (E_RNA) where: Base-Base interactions energy: -790.719 where: short stacking energy: -373.331 Base-Backbone interact. energy: -0.622 local terms energy: -370.820753 where: bonds (distance) C4'-P energy: -63.841 bonds (distance) P-C4' energy: -65.043 flat angles C4'-P-C4' energy: -72.073 flat angles P-C4'-P energy: -52.043 tors. eta vs tors. theta energy: -117.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1040.689095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.689095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.689095 (E_RNA) where: Base-Base interactions energy: -688.612 where: short stacking energy: -312.746 Base-Backbone interact. energy: -1.534 local terms energy: -350.542926 where: bonds (distance) C4'-P energy: -69.015 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -73.540 flat angles P-C4'-P energy: -44.400 tors. eta vs tors. theta energy: -101.672 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: 246 Temperature: 1.050000 Total energy: -1022.466561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.466561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.466561 (E_RNA) where: Base-Base interactions energy: -684.462 where: short stacking energy: -323.183 Base-Backbone interact. energy: -0.357 local terms energy: -337.647446 where: bonds (distance) C4'-P energy: -76.409 bonds (distance) P-C4' energy: -56.623 flat angles C4'-P-C4' energy: -69.456 flat angles P-C4'-P energy: -42.285 tors. eta vs tors. theta energy: -92.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -975.732266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.732266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.732266 (E_RNA) where: Base-Base interactions energy: -652.134 where: short stacking energy: -302.747 Base-Backbone interact. energy: 3.190 local terms energy: -326.788416 where: bonds (distance) C4'-P energy: -66.299 bonds (distance) P-C4' energy: -62.722 flat angles C4'-P-C4' energy: -72.587 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -77.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -812.346876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.346876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.346876 (E_RNA) where: Base-Base interactions energy: -522.568 where: short stacking energy: -260.729 Base-Backbone interact. energy: -0.059 local terms energy: -289.719923 where: bonds (distance) C4'-P energy: -59.176 bonds (distance) P-C4' energy: -45.466 flat angles C4'-P-C4' energy: -63.321 flat angles P-C4'-P energy: -48.824 tors. eta vs tors. theta energy: -72.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -732.063871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.063871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.063871 (E_RNA) where: Base-Base interactions energy: -464.963 where: short stacking energy: -215.791 Base-Backbone interact. energy: -2.184 local terms energy: -264.916472 where: bonds (distance) C4'-P energy: -58.256 bonds (distance) P-C4' energy: -53.961 flat angles C4'-P-C4' energy: -63.117 flat angles P-C4'-P energy: -42.673 tors. eta vs tors. theta energy: -46.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -557.015030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.015030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.015030 (E_RNA) where: Base-Base interactions energy: -297.608 where: short stacking energy: -174.922 Base-Backbone interact. energy: 0.303 local terms energy: -259.709539 where: bonds (distance) C4'-P energy: -61.851 bonds (distance) P-C4' energy: -67.895 flat angles C4'-P-C4' energy: -49.956 flat angles P-C4'-P energy: -51.432 tors. eta vs tors. theta energy: -28.575 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: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -342.802400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.802400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.802400 (E_RNA) where: Base-Base interactions energy: -163.173 where: short stacking energy: -101.978 Base-Backbone interact. energy: -2.909 local terms energy: -176.720494 where: bonds (distance) C4'-P energy: -61.366 bonds (distance) P-C4' energy: -52.528 flat angles C4'-P-C4' energy: -55.322 flat angles P-C4'-P energy: -22.099 tors. eta vs tors. theta energy: 14.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -275.804105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.804105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.804105 (E_RNA) where: Base-Base interactions energy: -87.705 where: short stacking energy: -76.846 Base-Backbone interact. energy: 0.756 local terms energy: -188.855254 where: bonds (distance) C4'-P energy: -49.990 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -51.191 flat angles P-C4'-P energy: -31.078 tors. eta vs tors. theta energy: 7.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1176.214892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.214892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.214892 (E_RNA) where: Base-Base interactions energy: -784.384 where: short stacking energy: -362.687 Base-Backbone interact. energy: -0.466 local terms energy: -391.364822 where: bonds (distance) C4'-P energy: -74.167 bonds (distance) P-C4' energy: -66.436 flat angles C4'-P-C4' energy: -74.567 flat angles P-C4'-P energy: -64.149 tors. eta vs tors. theta energy: -112.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1161.012257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.012257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.012257 (E_RNA) where: Base-Base interactions energy: -773.452 where: short stacking energy: -362.558 Base-Backbone interact. energy: -1.278 local terms energy: -386.282474 where: bonds (distance) C4'-P energy: -73.078 bonds (distance) P-C4' energy: -64.471 flat angles C4'-P-C4' energy: -77.664 flat angles P-C4'-P energy: -59.013 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: 3, replica: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1040.863027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.863027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.863027 (E_RNA) where: Base-Base interactions energy: -697.665 where: short stacking energy: -344.853 Base-Backbone interact. energy: 1.105 local terms energy: -344.303639 where: bonds (distance) C4'-P energy: -57.485 bonds (distance) P-C4' energy: -63.062 flat angles C4'-P-C4' energy: -74.217 flat angles P-C4'-P energy: -52.176 tors. eta vs tors. theta energy: -97.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1035.462882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.462882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.462882 (E_RNA) where: Base-Base interactions energy: -692.242 where: short stacking energy: -338.470 Base-Backbone interact. energy: -0.382 local terms energy: -342.838768 where: bonds (distance) C4'-P energy: -48.566 bonds (distance) P-C4' energy: -62.174 flat angles C4'-P-C4' energy: -70.835 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -102.231 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: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -969.242863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.242863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.242863 (E_RNA) where: Base-Base interactions energy: -643.344 where: short stacking energy: -298.340 Base-Backbone interact. energy: -1.310 local terms energy: -324.588918 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -65.672 flat angles C4'-P-C4' energy: -68.754 flat angles P-C4'-P energy: -44.258 tors. eta vs tors. theta energy: -87.552 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: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -850.688872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.688872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.688872 (E_RNA) where: Base-Base interactions energy: -542.736 where: short stacking energy: -263.407 Base-Backbone interact. energy: -0.635 local terms energy: -307.317649 where: bonds (distance) C4'-P energy: -58.500 bonds (distance) P-C4' energy: -72.673 flat angles C4'-P-C4' energy: -67.399 flat angles P-C4'-P energy: -42.421 tors. eta vs tors. theta energy: -66.324 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: 247 Temperature: 1.200000 Total energy: -723.169818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.169818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.169818 (E_RNA) where: Base-Base interactions energy: -452.582 where: short stacking energy: -211.878 Base-Backbone interact. energy: -1.086 local terms energy: -269.501901 where: bonds (distance) C4'-P energy: -63.320 bonds (distance) P-C4' energy: -54.525 flat angles C4'-P-C4' energy: -65.457 flat angles P-C4'-P energy: -29.867 tors. eta vs tors. theta energy: -56.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -552.126791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.126791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.126791 (E_RNA) where: Base-Base interactions energy: -312.285 where: short stacking energy: -183.644 Base-Backbone interact. energy: -0.923 local terms energy: -238.918629 where: bonds (distance) C4'-P energy: -58.383 bonds (distance) P-C4' energy: -65.079 flat angles C4'-P-C4' energy: -58.732 flat angles P-C4'-P energy: -26.954 tors. eta vs tors. theta energy: -29.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -299.347193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.347193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.347193 (E_RNA) where: Base-Base interactions energy: -87.897 where: short stacking energy: -73.164 Base-Backbone interact. energy: -1.203 local terms energy: -210.247046 where: bonds (distance) C4'-P energy: -62.636 bonds (distance) P-C4' energy: -67.981 flat angles C4'-P-C4' energy: -49.532 flat angles P-C4'-P energy: -34.906 tors. eta vs tors. theta energy: 4.808 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: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -289.592114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.592114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.592114 (E_RNA) where: Base-Base interactions energy: -93.888 where: short stacking energy: -65.246 Base-Backbone interact. energy: -1.220 local terms energy: -194.483766 where: bonds (distance) C4'-P energy: -56.618 bonds (distance) P-C4' energy: -53.777 flat angles C4'-P-C4' energy: -54.515 flat angles P-C4'-P energy: -37.085 tors. eta vs tors. theta energy: 7.512 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: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1187.578740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.578740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.578740 (E_RNA) where: Base-Base interactions energy: -812.506 where: short stacking energy: -367.497 Base-Backbone interact. energy: 1.064 local terms energy: -376.136533 where: bonds (distance) C4'-P energy: -65.210 bonds (distance) P-C4' energy: -64.063 flat angles C4'-P-C4' energy: -78.627 flat angles P-C4'-P energy: -60.819 tors. eta vs tors. theta energy: -107.418 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: 1 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1132.318570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.318570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.318570 (E_RNA) where: Base-Base interactions energy: -770.716 where: short stacking energy: -355.808 Base-Backbone interact. energy: -1.247 local terms energy: -360.355941 where: bonds (distance) C4'-P energy: -66.678 bonds (distance) P-C4' energy: -61.723 flat angles C4'-P-C4' energy: -73.508 flat angles P-C4'-P energy: -55.982 tors. eta vs tors. theta energy: -102.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1084.129656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.129656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.129656 (E_RNA) where: Base-Base interactions energy: -734.298 where: short stacking energy: -336.202 Base-Backbone interact. energy: -1.987 local terms energy: -347.844253 where: bonds (distance) C4'-P energy: -53.895 bonds (distance) P-C4' energy: -70.788 flat angles C4'-P-C4' energy: -79.049 flat angles P-C4'-P energy: -51.706 tors. eta vs tors. theta energy: -92.407 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: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -993.849956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.849956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.849956 (E_RNA) where: Base-Base interactions energy: -652.890 where: short stacking energy: -305.496 Base-Backbone interact. energy: -1.634 local terms energy: -339.325401 where: bonds (distance) C4'-P energy: -69.679 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -69.739 flat angles P-C4'-P energy: -45.670 tors. eta vs tors. theta energy: -90.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -948.551982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.551982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.551982 (E_RNA) where: Base-Base interactions energy: -644.998 where: short stacking energy: -285.713 Base-Backbone interact. energy: 0.319 local terms energy: -303.873174 where: bonds (distance) C4'-P energy: -66.623 bonds (distance) P-C4' energy: -59.999 flat angles C4'-P-C4' energy: -72.631 flat angles P-C4'-P energy: -32.304 tors. eta vs tors. theta energy: -72.316 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: 248 Temperature: 1.150000 Total energy: -853.980481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.980481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.980481 (E_RNA) where: Base-Base interactions energy: -537.365 where: short stacking energy: -279.470 Base-Backbone interact. energy: -0.970 local terms energy: -315.644993 where: bonds (distance) C4'-P energy: -67.623 bonds (distance) P-C4' energy: -65.066 flat angles C4'-P-C4' energy: -66.625 flat angles P-C4'-P energy: -39.991 tors. eta vs tors. theta energy: -76.340 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: 2 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -716.871182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.871182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.871182 (E_RNA) where: Base-Base interactions energy: -481.151 where: short stacking energy: -226.657 Base-Backbone interact. energy: 1.671 local terms energy: -237.391363 where: bonds (distance) C4'-P energy: -47.790 bonds (distance) P-C4' energy: -46.526 flat angles C4'-P-C4' energy: -48.603 flat angles P-C4'-P energy: -40.026 tors. eta vs tors. theta energy: -54.445 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: 8, replica: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -586.373821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.373821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.373821 (E_RNA) where: Base-Base interactions energy: -340.974 where: short stacking energy: -176.059 Base-Backbone interact. energy: 0.122 local terms energy: -245.521549 where: bonds (distance) C4'-P energy: -55.850 bonds (distance) P-C4' energy: -63.190 flat angles C4'-P-C4' energy: -63.054 flat angles P-C4'-P energy: -35.297 tors. eta vs tors. theta energy: -28.131 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: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -358.108962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.108962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.108962 (E_RNA) where: Base-Base interactions energy: -172.811 where: short stacking energy: -123.431 Base-Backbone interact. energy: 2.945 local terms energy: -188.242459 where: bonds (distance) C4'-P energy: -51.366 bonds (distance) P-C4' energy: -61.072 flat angles C4'-P-C4' energy: -58.069 flat angles P-C4'-P energy: -17.575 tors. eta vs tors. theta energy: -0.161 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: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -287.927253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.927253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.927253 (E_RNA) where: Base-Base interactions energy: -99.579 where: short stacking energy: -78.818 Base-Backbone interact. energy: -1.458 local terms energy: -186.890211 where: bonds (distance) C4'-P energy: -65.329 bonds (distance) P-C4' energy: -64.645 flat angles C4'-P-C4' energy: -47.858 flat angles P-C4'-P energy: -18.970 tors. eta vs tors. theta energy: 9.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1171.600968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.600968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.600968 (E_RNA) where: Base-Base interactions energy: -806.799 where: short stacking energy: -365.192 Base-Backbone interact. energy: -1.810 local terms energy: -362.992338 where: bonds (distance) C4'-P energy: -61.154 bonds (distance) P-C4' energy: -54.478 flat angles C4'-P-C4' energy: -73.272 flat angles P-C4'-P energy: -60.263 tors. eta vs tors. theta energy: -113.825 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: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1143.927916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.927916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.927916 (E_RNA) where: Base-Base interactions energy: -775.454 where: short stacking energy: -362.034 Base-Backbone interact. energy: -0.340 local terms energy: -368.133446 where: bonds (distance) C4'-P energy: -71.316 bonds (distance) P-C4' energy: -70.930 flat angles C4'-P-C4' energy: -70.510 flat angles P-C4'-P energy: -46.606 tors. eta vs tors. theta energy: -108.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1088.130205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.130205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.130205 (E_RNA) where: Base-Base interactions energy: -723.232 where: short stacking energy: -340.137 Base-Backbone interact. energy: -0.970 local terms energy: -363.927892 where: bonds (distance) C4'-P energy: -72.733 bonds (distance) P-C4' energy: -64.794 flat angles C4'-P-C4' energy: -70.189 flat angles P-C4'-P energy: -52.018 tors. eta vs tors. theta energy: -104.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -978.858334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.858334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.858334 (E_RNA) where: Base-Base interactions energy: -632.804 where: short stacking energy: -302.615 Base-Backbone interact. energy: 0.361 local terms energy: -346.415477 where: bonds (distance) C4'-P energy: -66.361 bonds (distance) P-C4' energy: -69.215 flat angles C4'-P-C4' energy: -74.970 flat angles P-C4'-P energy: -41.879 tors. eta vs tors. theta energy: -93.990 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: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -991.616671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.616671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.616671 (E_RNA) where: Base-Base interactions energy: -672.312 where: short stacking energy: -307.325 Base-Backbone interact. energy: 0.616 local terms energy: -319.920459 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -51.995 flat angles C4'-P-C4' energy: -75.548 flat angles P-C4'-P energy: -53.314 tors. eta vs tors. theta energy: -81.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -859.998460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.998460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.998460 (E_RNA) where: Base-Base interactions energy: -536.343 where: short stacking energy: -284.488 Base-Backbone interact. energy: -0.590 local terms energy: -323.065111 where: bonds (distance) C4'-P energy: -59.234 bonds (distance) P-C4' energy: -59.868 flat angles C4'-P-C4' energy: -73.693 flat angles P-C4'-P energy: -52.470 tors. eta vs tors. theta energy: -77.800 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: 249 Temperature: 1.200000 Total energy: -765.005995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.005995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.005995 (E_RNA) where: Base-Base interactions energy: -476.365 where: short stacking energy: -237.580 Base-Backbone interact. energy: -1.540 local terms energy: -287.100132 where: bonds (distance) C4'-P energy: -64.441 bonds (distance) P-C4' energy: -52.698 flat angles C4'-P-C4' energy: -61.177 flat angles P-C4'-P energy: -46.691 tors. eta vs tors. theta energy: -62.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -595.358105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.358105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.358105 (E_RNA) where: Base-Base interactions energy: -363.639 where: short stacking energy: -182.380 Base-Backbone interact. energy: -0.381 local terms energy: -231.338676 where: bonds (distance) C4'-P energy: -49.664 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -53.940 flat angles P-C4'-P energy: -32.187 tors. eta vs tors. theta energy: -33.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -382.612376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.612376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.612376 (E_RNA) where: Base-Base interactions energy: -186.554 where: short stacking energy: -139.439 Base-Backbone interact. energy: 0.904 local terms energy: -196.961571 where: bonds (distance) C4'-P energy: -43.489 bonds (distance) P-C4' energy: -60.862 flat angles C4'-P-C4' energy: -50.193 flat angles P-C4'-P energy: -21.765 tors. eta vs tors. theta energy: -20.653 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: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -360.601343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.601343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.601343 (E_RNA) where: Base-Base interactions energy: -162.395 where: short stacking energy: -123.816 Base-Backbone interact. energy: -1.999 local terms energy: -196.206997 where: bonds (distance) C4'-P energy: -46.268 bonds (distance) P-C4' energy: -48.937 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -17.185 tors. eta vs tors. theta energy: -11.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1174.820033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.820033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.820033 (E_RNA) where: Base-Base interactions energy: -790.322 where: short stacking energy: -373.570 Base-Backbone interact. energy: 0.407 local terms energy: -384.905074 where: bonds (distance) C4'-P energy: -75.746 bonds (distance) P-C4' energy: -74.406 flat angles C4'-P-C4' energy: -77.133 flat angles P-C4'-P energy: -48.682 tors. eta vs tors. theta energy: -108.938 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: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1159.480324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.480324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.480324 (E_RNA) where: Base-Base interactions energy: -778.689 where: short stacking energy: -360.604 Base-Backbone interact. energy: -1.234 local terms energy: -379.557241 where: bonds (distance) C4'-P energy: -73.350 bonds (distance) P-C4' energy: -64.930 flat angles C4'-P-C4' energy: -75.534 flat angles P-C4'-P energy: -54.204 tors. eta vs tors. theta energy: -111.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1069.165858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.165858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.165858 (E_RNA) where: Base-Base interactions energy: -699.433 where: short stacking energy: -307.106 Base-Backbone interact. energy: -1.139 local terms energy: -368.594023 where: bonds (distance) C4'-P energy: -77.938 bonds (distance) P-C4' energy: -62.271 flat angles C4'-P-C4' energy: -83.701 flat angles P-C4'-P energy: -56.843 tors. eta vs tors. theta energy: -87.841 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: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -996.101565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.101565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.101565 (E_RNA) where: Base-Base interactions energy: -659.914 where: short stacking energy: -330.736 Base-Backbone interact. energy: -0.408 local terms energy: -335.779532 where: bonds (distance) C4'-P energy: -58.185 bonds (distance) P-C4' energy: -67.961 flat angles C4'-P-C4' energy: -69.193 flat angles P-C4'-P energy: -43.812 tors. eta vs tors. theta energy: -96.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -981.792439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.792439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.792439 (E_RNA) where: Base-Base interactions energy: -650.488 where: short stacking energy: -298.884 Base-Backbone interact. energy: 0.714 local terms energy: -332.018709 where: bonds (distance) C4'-P energy: -60.119 bonds (distance) P-C4' energy: -70.014 flat angles C4'-P-C4' energy: -72.865 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -85.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -836.665016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.665016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.665016 (E_RNA) where: Base-Base interactions energy: -555.703 where: short stacking energy: -286.983 Base-Backbone interact. energy: -0.383 local terms energy: -280.579345 where: bonds (distance) C4'-P energy: -41.552 bonds (distance) P-C4' energy: -67.320 flat angles C4'-P-C4' energy: -62.485 flat angles P-C4'-P energy: -41.975 tors. eta vs tors. theta energy: -67.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -751.573084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.573084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.573084 (E_RNA) where: Base-Base interactions energy: -488.200 where: short stacking energy: -234.318 Base-Backbone interact. energy: -1.633 local terms energy: -261.739985 where: bonds (distance) C4'-P energy: -42.952 bonds (distance) P-C4' energy: -66.393 flat angles C4'-P-C4' energy: -61.386 flat angles P-C4'-P energy: -35.581 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: 8, replica: 6 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -573.907670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.907670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.907670 (E_RNA) where: Base-Base interactions energy: -329.656 where: short stacking energy: -179.672 Base-Backbone interact. energy: 0.248 local terms energy: -244.500463 where: bonds (distance) C4'-P energy: -61.812 bonds (distance) P-C4' energy: -67.988 flat angles C4'-P-C4' energy: -54.620 flat angles P-C4'-P energy: -26.835 tors. eta vs tors. theta energy: -33.246 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: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -362.586054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.586054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.586054 (E_RNA) where: Base-Base interactions energy: -156.566 where: short stacking energy: -100.214 Base-Backbone interact. energy: 0.969 local terms energy: -206.989278 where: bonds (distance) C4'-P energy: -43.874 bonds (distance) P-C4' energy: -66.469 flat angles C4'-P-C4' energy: -51.017 flat angles P-C4'-P energy: -38.948 tors. eta vs tors. theta energy: -6.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -357.524263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.524263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.524263 (E_RNA) where: Base-Base interactions energy: -175.942 where: short stacking energy: -91.875 Base-Backbone interact. energy: -0.589 local terms energy: -180.992854 where: bonds (distance) C4'-P energy: -51.785 bonds (distance) P-C4' energy: -60.926 flat angles C4'-P-C4' energy: -44.440 flat angles P-C4'-P energy: -42.128 tors. eta vs tors. theta energy: 18.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1145.435726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.435726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.435726 (E_RNA) where: Base-Base interactions energy: -776.424 where: short stacking energy: -360.109 Base-Backbone interact. energy: 2.001 local terms energy: -371.012894 where: bonds (distance) C4'-P energy: -64.674 bonds (distance) P-C4' energy: -73.377 flat angles C4'-P-C4' energy: -79.206 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -100.589 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: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1129.181105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.181105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.181105 (E_RNA) where: Base-Base interactions energy: -752.454 where: short stacking energy: -352.211 Base-Backbone interact. energy: -0.476 local terms energy: -376.250819 where: bonds (distance) C4'-P energy: -67.805 bonds (distance) P-C4' energy: -78.058 flat angles C4'-P-C4' energy: -65.597 flat angles P-C4'-P energy: -50.800 tors. eta vs tors. theta energy: -113.991 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: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1075.234392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.234392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.234392 (E_RNA) where: Base-Base interactions energy: -737.931 where: short stacking energy: -326.363 Base-Backbone interact. energy: -0.288 local terms energy: -337.014495 where: bonds (distance) C4'-P energy: -63.275 bonds (distance) P-C4' energy: -57.073 flat angles C4'-P-C4' energy: -80.743 flat angles P-C4'-P energy: -46.438 tors. eta vs tors. theta energy: -89.487 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: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1005.511702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.511702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.511702 (E_RNA) where: Base-Base interactions energy: -655.285 where: short stacking energy: -319.267 Base-Backbone interact. energy: -1.838 local terms energy: -348.388810 where: bonds (distance) C4'-P energy: -64.629 bonds (distance) P-C4' energy: -70.408 flat angles C4'-P-C4' energy: -67.213 flat angles P-C4'-P energy: -52.493 tors. eta vs tors. theta energy: -93.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -964.048641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.048641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.048641 (E_RNA) where: Base-Base interactions energy: -635.024 where: short stacking energy: -285.567 Base-Backbone interact. energy: -2.372 local terms energy: -326.652166 where: bonds (distance) C4'-P energy: -67.484 bonds (distance) P-C4' energy: -59.256 flat angles C4'-P-C4' energy: -75.131 flat angles P-C4'-P energy: -46.018 tors. eta vs tors. theta energy: -78.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -855.093979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.093979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.093979 (E_RNA) where: Base-Base interactions energy: -551.380 where: short stacking energy: -260.529 Base-Backbone interact. energy: -0.793 local terms energy: -302.920427 where: bonds (distance) C4'-P energy: -58.437 bonds (distance) P-C4' energy: -74.352 flat angles C4'-P-C4' energy: -61.227 flat angles P-C4'-P energy: -45.271 tors. eta vs tors. theta energy: -63.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -803.255409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.255409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.255409 (E_RNA) where: Base-Base interactions energy: -532.043 where: short stacking energy: -262.555 Base-Backbone interact. energy: -0.227 local terms energy: -270.984782 where: bonds (distance) C4'-P energy: -64.352 bonds (distance) P-C4' energy: -60.056 flat angles C4'-P-C4' energy: -49.675 flat angles P-C4'-P energy: -31.343 tors. eta vs tors. theta energy: -65.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -607.897348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.897348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.897348 (E_RNA) where: Base-Base interactions energy: -370.618 where: short stacking energy: -187.912 Base-Backbone interact. energy: -1.296 local terms energy: -235.983696 where: bonds (distance) C4'-P energy: -37.584 bonds (distance) P-C4' energy: -62.674 flat angles C4'-P-C4' energy: -54.074 flat angles P-C4'-P energy: -43.935 tors. eta vs tors. theta energy: -37.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -376.245236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.245236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.245236 (E_RNA) where: Base-Base interactions energy: -166.107 where: short stacking energy: -115.255 Base-Backbone interact. energy: -1.015 local terms energy: -209.123336 where: bonds (distance) C4'-P energy: -50.342 bonds (distance) P-C4' energy: -63.015 flat angles C4'-P-C4' energy: -65.108 flat angles P-C4'-P energy: -23.645 tors. eta vs tors. theta energy: -7.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -348.584949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.584949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.584949 (E_RNA) where: Base-Base interactions energy: -156.160 where: short stacking energy: -98.411 Base-Backbone interact. energy: -1.110 local terms energy: -191.314948 where: bonds (distance) C4'-P energy: -61.521 bonds (distance) P-C4' energy: -56.315 flat angles C4'-P-C4' energy: -58.111 flat angles P-C4'-P energy: -12.669 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1187.190277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.190277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.190277 (E_RNA) where: Base-Base interactions energy: -816.857 where: short stacking energy: -376.578 Base-Backbone interact. energy: -0.600 local terms energy: -369.733224 where: bonds (distance) C4'-P energy: -61.537 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -73.936 flat angles P-C4'-P energy: -50.604 tors. eta vs tors. theta energy: -110.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1129.465997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.465997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.465997 (E_RNA) where: Base-Base interactions energy: -759.570 where: short stacking energy: -342.680 Base-Backbone interact. energy: -2.082 local terms energy: -367.814052 where: bonds (distance) C4'-P energy: -74.811 bonds (distance) P-C4' energy: -67.907 flat angles C4'-P-C4' energy: -76.008 flat angles P-C4'-P energy: -46.266 tors. eta vs tors. theta energy: -102.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1050.756631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.756631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.756631 (E_RNA) where: Base-Base interactions energy: -706.732 where: short stacking energy: -329.217 Base-Backbone interact. energy: -0.600 local terms energy: -343.424504 where: bonds (distance) C4'-P energy: -65.836 bonds (distance) P-C4' energy: -64.113 flat angles C4'-P-C4' energy: -74.193 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -90.745 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: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1010.726092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.726092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.726092 (E_RNA) where: Base-Base interactions energy: -678.479 where: short stacking energy: -309.303 Base-Backbone interact. energy: 1.783 local terms energy: -334.030081 where: bonds (distance) C4'-P energy: -54.957 bonds (distance) P-C4' energy: -70.983 flat angles C4'-P-C4' energy: -71.330 flat angles P-C4'-P energy: -43.238 tors. eta vs tors. theta energy: -93.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -965.778105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.778105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.778105 (E_RNA) where: Base-Base interactions energy: -629.509 where: short stacking energy: -299.955 Base-Backbone interact. energy: -0.418 local terms energy: -335.850976 where: bonds (distance) C4'-P energy: -62.470 bonds (distance) P-C4' energy: -65.408 flat angles C4'-P-C4' energy: -71.266 flat angles P-C4'-P energy: -46.245 tors. eta vs tors. theta energy: -90.461 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: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -815.504957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.504957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.504957 (E_RNA) where: Base-Base interactions energy: -512.669 where: short stacking energy: -269.848 Base-Backbone interact. energy: 0.189 local terms energy: -303.025706 where: bonds (distance) C4'-P energy: -61.038 bonds (distance) P-C4' energy: -66.675 flat angles C4'-P-C4' energy: -64.594 flat angles P-C4'-P energy: -39.365 tors. eta vs tors. theta energy: -71.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -708.797183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.797183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.797183 (E_RNA) where: Base-Base interactions energy: -432.713 where: short stacking energy: -214.655 Base-Backbone interact. energy: -0.584 local terms energy: -275.500300 where: bonds (distance) C4'-P energy: -57.323 bonds (distance) P-C4' energy: -66.474 flat angles C4'-P-C4' energy: -68.591 flat angles P-C4'-P energy: -28.540 tors. eta vs tors. theta energy: -54.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -681.029812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.029812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.029812 (E_RNA) where: Base-Base interactions energy: -434.534 where: short stacking energy: -202.119 Base-Backbone interact. energy: -1.137 local terms energy: -245.358654 where: bonds (distance) C4'-P energy: -54.713 bonds (distance) P-C4' energy: -64.790 flat angles C4'-P-C4' energy: -54.280 flat angles P-C4'-P energy: -31.747 tors. eta vs tors. theta energy: -39.828 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: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -369.197277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.197277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.197277 (E_RNA) where: Base-Base interactions energy: -176.185 where: short stacking energy: -101.312 Base-Backbone interact. energy: 1.566 local terms energy: -194.577987 where: bonds (distance) C4'-P energy: -61.755 bonds (distance) P-C4' energy: -59.522 flat angles C4'-P-C4' energy: -49.562 flat angles P-C4'-P energy: -17.736 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -332.860754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.860754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.860754 (E_RNA) where: Base-Base interactions energy: -146.306 where: short stacking energy: -81.569 Base-Backbone interact. energy: 1.673 local terms energy: -188.227249 where: bonds (distance) C4'-P energy: -47.139 bonds (distance) P-C4' energy: -70.055 flat angles C4'-P-C4' energy: -38.693 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: 8.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1166.042448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.042448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.042448 (E_RNA) where: Base-Base interactions energy: -784.553 where: short stacking energy: -377.427 Base-Backbone interact. energy: 0.395 local terms energy: -381.884743 where: bonds (distance) C4'-P energy: -64.093 bonds (distance) P-C4' energy: -65.639 flat angles C4'-P-C4' energy: -76.948 flat angles P-C4'-P energy: -59.320 tors. eta vs tors. theta energy: -115.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1101.582630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.582630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.582630 (E_RNA) where: Base-Base interactions energy: -729.045 where: short stacking energy: -329.260 Base-Backbone interact. energy: -1.384 local terms energy: -371.153925 where: bonds (distance) C4'-P energy: -70.096 bonds (distance) P-C4' energy: -70.048 flat angles C4'-P-C4' energy: -79.528 flat angles P-C4'-P energy: -51.670 tors. eta vs tors. theta energy: -99.812 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: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1048.539797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.539797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.539797 (E_RNA) where: Base-Base interactions energy: -707.997 where: short stacking energy: -335.892 Base-Backbone interact. energy: -1.271 local terms energy: -339.271122 where: bonds (distance) C4'-P energy: -59.238 bonds (distance) P-C4' energy: -68.829 flat angles C4'-P-C4' energy: -73.234 flat angles P-C4'-P energy: -44.833 tors. eta vs tors. theta energy: -93.137 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: 253 Temperature: 1.050000 Total energy: -984.043956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.043956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.043956 (E_RNA) where: Base-Base interactions energy: -649.598 where: short stacking energy: -328.055 Base-Backbone interact. energy: -0.536 local terms energy: -333.910066 where: bonds (distance) C4'-P energy: -58.800 bonds (distance) P-C4' energy: -61.241 flat angles C4'-P-C4' energy: -73.827 flat angles P-C4'-P energy: -41.729 tors. eta vs tors. theta energy: -98.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -948.113433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.113433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.113433 (E_RNA) where: Base-Base interactions energy: -616.930 where: short stacking energy: -277.020 Base-Backbone interact. energy: -1.216 local terms energy: -329.967093 where: bonds (distance) C4'-P energy: -71.037 bonds (distance) P-C4' energy: -61.664 flat angles C4'-P-C4' energy: -73.525 flat angles P-C4'-P energy: -49.136 tors. eta vs tors. theta energy: -74.605 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: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -817.342274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.342274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.342274 (E_RNA) where: Base-Base interactions energy: -519.131 where: short stacking energy: -254.225 Base-Backbone interact. energy: -0.583 local terms energy: -297.628370 where: bonds (distance) C4'-P energy: -60.124 bonds (distance) P-C4' energy: -65.772 flat angles C4'-P-C4' energy: -70.800 flat angles P-C4'-P energy: -38.816 tors. eta vs tors. theta energy: -62.116 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: 2 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -709.877410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.877410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.877410 (E_RNA) where: Base-Base interactions energy: -469.975 where: short stacking energy: -201.397 Base-Backbone interact. energy: -1.218 local terms energy: -238.684153 where: bonds (distance) C4'-P energy: -59.313 bonds (distance) P-C4' energy: -63.394 flat angles C4'-P-C4' energy: -52.196 flat angles P-C4'-P energy: -31.999 tors. eta vs tors. theta energy: -31.781 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: 8, replica: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -638.481795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.481795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.481795 (E_RNA) where: Base-Base interactions energy: -376.558 where: short stacking energy: -185.531 Base-Backbone interact. energy: -2.138 local terms energy: -259.786147 where: bonds (distance) C4'-P energy: -54.493 bonds (distance) P-C4' energy: -71.231 flat angles C4'-P-C4' energy: -48.605 flat angles P-C4'-P energy: -42.352 tors. eta vs tors. theta energy: -43.106 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: 9, replica: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -417.643512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.643512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.643512 (E_RNA) where: Base-Base interactions energy: -216.717 where: short stacking energy: -125.069 Base-Backbone interact. energy: 4.679 local terms energy: -205.605757 where: bonds (distance) C4'-P energy: -51.394 bonds (distance) P-C4' energy: -62.747 flat angles C4'-P-C4' energy: -48.657 flat angles P-C4'-P energy: -31.041 tors. eta vs tors. theta energy: -11.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -374.502162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.502162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.502162 (E_RNA) where: Base-Base interactions energy: -172.267 where: short stacking energy: -123.548 Base-Backbone interact. energy: -0.305 local terms energy: -201.930480 where: bonds (distance) C4'-P energy: -53.582 bonds (distance) P-C4' energy: -54.794 flat angles C4'-P-C4' energy: -55.303 flat angles P-C4'-P energy: -26.708 tors. eta vs tors. theta energy: -11.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1191.906449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.906449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.906449 (E_RNA) where: Base-Base interactions energy: -794.538 where: short stacking energy: -373.714 Base-Backbone interact. energy: -2.325 local terms energy: -395.043228 where: bonds (distance) C4'-P energy: -70.493 bonds (distance) P-C4' energy: -71.196 flat angles C4'-P-C4' energy: -83.177 flat angles P-C4'-P energy: -52.927 tors. eta vs tors. theta energy: -117.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1089.828286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.828286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.828286 (E_RNA) where: Base-Base interactions energy: -718.002 where: short stacking energy: -331.861 Base-Backbone interact. energy: -1.068 local terms energy: -370.758279 where: bonds (distance) C4'-P energy: -69.942 bonds (distance) P-C4' energy: -73.067 flat angles C4'-P-C4' energy: -81.266 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -97.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1075.292998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.292998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.292998 (E_RNA) where: Base-Base interactions energy: -720.933 where: short stacking energy: -341.881 Base-Backbone interact. energy: -0.143 local terms energy: -354.216927 where: bonds (distance) C4'-P energy: -70.192 bonds (distance) P-C4' energy: -62.349 flat angles C4'-P-C4' energy: -79.598 flat angles P-C4'-P energy: -51.402 tors. eta vs tors. theta energy: -90.676 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: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -993.177246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.177246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.177246 (E_RNA) where: Base-Base interactions energy: -635.465 where: short stacking energy: -313.270 Base-Backbone interact. energy: -0.184 local terms energy: -357.527831 where: bonds (distance) C4'-P energy: -69.425 bonds (distance) P-C4' energy: -62.251 flat angles C4'-P-C4' energy: -74.560 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -104.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -949.535556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.535556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.535556 (E_RNA) where: Base-Base interactions energy: -641.709 where: short stacking energy: -289.757 Base-Backbone interact. energy: 5.950 local terms energy: -313.777212 where: bonds (distance) C4'-P energy: -60.782 bonds (distance) P-C4' energy: -60.772 flat angles C4'-P-C4' energy: -72.871 flat angles P-C4'-P energy: -48.043 tors. eta vs tors. theta energy: -71.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -828.375986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.375986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.375986 (E_RNA) where: Base-Base interactions energy: -527.504 where: short stacking energy: -261.618 Base-Backbone interact. energy: -0.474 local terms energy: -300.397913 where: bonds (distance) C4'-P energy: -63.926 bonds (distance) P-C4' energy: -48.336 flat angles C4'-P-C4' energy: -71.943 flat angles P-C4'-P energy: -40.472 tors. eta vs tors. theta energy: -75.721 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: 2 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -708.149061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.149061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.149061 (E_RNA) where: Base-Base interactions energy: -423.216 where: short stacking energy: -204.090 Base-Backbone interact. energy: -0.500 local terms energy: -284.432520 where: bonds (distance) C4'-P energy: -56.556 bonds (distance) P-C4' energy: -71.829 flat angles C4'-P-C4' energy: -71.554 flat angles P-C4'-P energy: -40.297 tors. eta vs tors. theta energy: -44.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -597.458733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.458733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.458733 (E_RNA) where: Base-Base interactions energy: -361.217 where: short stacking energy: -176.892 Base-Backbone interact. energy: 4.713 local terms energy: -240.954698 where: bonds (distance) C4'-P energy: -59.703 bonds (distance) P-C4' energy: -60.761 flat angles C4'-P-C4' energy: -57.956 flat angles P-C4'-P energy: -33.753 tors. eta vs tors. theta energy: -28.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -435.552543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.552543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.552543 (E_RNA) where: Base-Base interactions energy: -235.949 where: short stacking energy: -134.804 Base-Backbone interact. energy: 0.087 local terms energy: -199.690709 where: bonds (distance) C4'-P energy: -55.904 bonds (distance) P-C4' energy: -45.715 flat angles C4'-P-C4' energy: -55.120 flat angles P-C4'-P energy: -26.559 tors. eta vs tors. theta energy: -16.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -324.591165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.591165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.591165 (E_RNA) where: Base-Base interactions energy: -136.215 where: short stacking energy: -86.268 Base-Backbone interact. energy: 3.142 local terms energy: -191.518384 where: bonds (distance) C4'-P energy: -53.917 bonds (distance) P-C4' energy: -66.434 flat angles C4'-P-C4' energy: -42.731 flat angles P-C4'-P energy: -31.319 tors. eta vs tors. theta energy: 2.883 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: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1212.091194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.091194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.091194 (E_RNA) where: Base-Base interactions energy: -815.577 where: short stacking energy: -389.859 Base-Backbone interact. energy: -0.535 local terms energy: -395.979347 where: bonds (distance) C4'-P energy: -76.975 bonds (distance) P-C4' energy: -69.075 flat angles C4'-P-C4' energy: -82.536 flat angles P-C4'-P energy: -53.145 tors. eta vs tors. theta energy: -114.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1111.135956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.135956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.135956 (E_RNA) where: Base-Base interactions energy: -750.817 where: short stacking energy: -344.286 Base-Backbone interact. energy: -1.381 local terms energy: -358.938219 where: bonds (distance) C4'-P energy: -58.017 bonds (distance) P-C4' energy: -70.481 flat angles C4'-P-C4' energy: -79.460 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: -105.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1063.803782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.803782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.803782 (E_RNA) where: Base-Base interactions energy: -714.751 where: short stacking energy: -332.600 Base-Backbone interact. energy: -0.935 local terms energy: -348.118175 where: bonds (distance) C4'-P energy: -76.095 bonds (distance) P-C4' energy: -68.982 flat angles C4'-P-C4' energy: -69.529 flat angles P-C4'-P energy: -41.452 tors. eta vs tors. theta energy: -92.060 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: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -984.878572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.878572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.878572 (E_RNA) where: Base-Base interactions energy: -645.431 where: short stacking energy: -291.068 Base-Backbone interact. energy: -0.143 local terms energy: -339.304124 where: bonds (distance) C4'-P energy: -68.999 bonds (distance) P-C4' energy: -69.142 flat angles C4'-P-C4' energy: -62.254 flat angles P-C4'-P energy: -51.002 tors. eta vs tors. theta energy: -87.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -933.300895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.300895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.300895 (E_RNA) where: Base-Base interactions energy: -614.562 where: short stacking energy: -283.244 Base-Backbone interact. energy: -1.179 local terms energy: -317.559354 where: bonds (distance) C4'-P energy: -61.136 bonds (distance) P-C4' energy: -62.054 flat angles C4'-P-C4' energy: -73.430 flat angles P-C4'-P energy: -47.688 tors. eta vs tors. theta energy: -73.251 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: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -773.589660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.589660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.589660 (E_RNA) where: Base-Base interactions energy: -506.433 where: short stacking energy: -258.528 Base-Backbone interact. energy: -0.970 local terms energy: -266.186716 where: bonds (distance) C4'-P energy: -55.551 bonds (distance) P-C4' energy: -66.101 flat angles C4'-P-C4' energy: -65.116 flat angles P-C4'-P energy: -28.029 tors. eta vs tors. theta energy: -51.389 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: 7, replica: 2 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -739.741644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.741644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.741644 (E_RNA) where: Base-Base interactions energy: -466.795 where: short stacking energy: -228.169 Base-Backbone interact. energy: -0.487 local terms energy: -272.460040 where: bonds (distance) C4'-P energy: -50.037 bonds (distance) P-C4' energy: -66.936 flat angles C4'-P-C4' energy: -61.115 flat angles P-C4'-P energy: -36.002 tors. eta vs tors. theta energy: -58.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -593.610029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.610029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.610029 (E_RNA) where: Base-Base interactions energy: -351.500 where: short stacking energy: -192.145 Base-Backbone interact. energy: -0.776 local terms energy: -241.334392 where: bonds (distance) C4'-P energy: -46.642 bonds (distance) P-C4' energy: -53.002 flat angles C4'-P-C4' energy: -67.356 flat angles P-C4'-P energy: -41.794 tors. eta vs tors. theta energy: -32.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -403.547038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.547038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.547038 (E_RNA) where: Base-Base interactions energy: -190.938 where: short stacking energy: -133.350 Base-Backbone interact. energy: 3.759 local terms energy: -216.368227 where: bonds (distance) C4'-P energy: -54.618 bonds (distance) P-C4' energy: -67.838 flat angles C4'-P-C4' energy: -51.153 flat angles P-C4'-P energy: -32.942 tors. eta vs tors. theta energy: -9.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -354.794959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.794959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.794959 (E_RNA) where: Base-Base interactions energy: -150.503 where: short stacking energy: -103.915 Base-Backbone interact. energy: 0.450 local terms energy: -204.741950 where: bonds (distance) C4'-P energy: -64.596 bonds (distance) P-C4' energy: -66.643 flat angles C4'-P-C4' energy: -51.736 flat angles P-C4'-P energy: -20.675 tors. eta vs tors. theta energy: -1.092 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: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1193.458899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.458899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.458899 (E_RNA) where: Base-Base interactions energy: -811.240 where: short stacking energy: -397.362 Base-Backbone interact. energy: 0.100 local terms energy: -382.318540 where: bonds (distance) C4'-P energy: -70.033 bonds (distance) P-C4' energy: -66.169 flat angles C4'-P-C4' energy: -75.420 flat angles P-C4'-P energy: -53.128 tors. eta vs tors. theta energy: -117.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1111.642619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.642619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.642619 (E_RNA) where: Base-Base interactions energy: -771.411 where: short stacking energy: -364.553 Base-Backbone interact. energy: -0.617 local terms energy: -339.614460 where: bonds (distance) C4'-P energy: -47.370 bonds (distance) P-C4' energy: -66.103 flat angles C4'-P-C4' energy: -72.369 flat angles P-C4'-P energy: -52.841 tors. eta vs tors. theta energy: -100.932 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: 256 Temperature: 1.000000 Total energy: -1038.833421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.833421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.833421 (E_RNA) where: Base-Base interactions energy: -707.280 where: short stacking energy: -312.479 Base-Backbone interact. energy: 1.388 local terms energy: -332.941294 where: bonds (distance) C4'-P energy: -60.167 bonds (distance) P-C4' energy: -61.486 flat angles C4'-P-C4' energy: -72.852 flat angles P-C4'-P energy: -47.221 tors. eta vs tors. theta energy: -91.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -970.804176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.804176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.804176 (E_RNA) where: Base-Base interactions energy: -631.792 where: short stacking energy: -294.158 Base-Backbone interact. energy: -0.799 local terms energy: -338.212507 where: bonds (distance) C4'-P energy: -55.828 bonds (distance) P-C4' energy: -72.091 flat angles C4'-P-C4' energy: -69.092 flat angles P-C4'-P energy: -51.828 tors. eta vs tors. theta energy: -89.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -934.779618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.779618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.779618 (E_RNA) where: Base-Base interactions energy: -620.587 where: short stacking energy: -276.776 Base-Backbone interact. energy: -1.462 local terms energy: -312.730278 where: bonds (distance) C4'-P energy: -61.578 bonds (distance) P-C4' energy: -57.571 flat angles C4'-P-C4' energy: -63.244 flat angles P-C4'-P energy: -49.694 tors. eta vs tors. theta energy: -80.644 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: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -834.199665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.199665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.199665 (E_RNA) where: Base-Base interactions energy: -519.284 where: short stacking energy: -256.704 Base-Backbone interact. energy: -0.208 local terms energy: -314.708012 where: bonds (distance) C4'-P energy: -63.713 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -66.617 flat angles P-C4'-P energy: -49.748 tors. eta vs tors. theta energy: -69.719 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: 2 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -751.469741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.469741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.469741 (E_RNA) where: Base-Base interactions energy: -491.018 where: short stacking energy: -237.038 Base-Backbone interact. energy: -0.885 local terms energy: -259.566927 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -59.954 flat angles C4'-P-C4' energy: -50.578 flat angles P-C4'-P energy: -31.440 tors. eta vs tors. theta energy: -60.650 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: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -601.827448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.827448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.827448 (E_RNA) where: Base-Base interactions energy: -345.604 where: short stacking energy: -179.364 Base-Backbone interact. energy: 1.132 local terms energy: -257.355618 where: bonds (distance) C4'-P energy: -58.599 bonds (distance) P-C4' energy: -52.440 flat angles C4'-P-C4' energy: -62.899 flat angles P-C4'-P energy: -40.718 tors. eta vs tors. theta energy: -42.701 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: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -385.383439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.383439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.383439 (E_RNA) where: Base-Base interactions energy: -187.183 where: short stacking energy: -119.944 Base-Backbone interact. energy: 0.333 local terms energy: -198.533785 where: bonds (distance) C4'-P energy: -56.488 bonds (distance) P-C4' energy: -56.610 flat angles C4'-P-C4' energy: -48.559 flat angles P-C4'-P energy: -32.631 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -340.726962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.726962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.726962 (E_RNA) where: Base-Base interactions energy: -147.366 where: short stacking energy: -94.620 Base-Backbone interact. energy: -1.497 local terms energy: -191.864663 where: bonds (distance) C4'-P energy: -69.240 bonds (distance) P-C4' energy: -62.244 flat angles C4'-P-C4' energy: -39.833 flat angles P-C4'-P energy: -29.030 tors. eta vs tors. theta energy: 8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1186.504686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.504686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.504686 (E_RNA) where: Base-Base interactions energy: -798.150 where: short stacking energy: -381.766 Base-Backbone interact. energy: -1.368 local terms energy: -386.987038 where: bonds (distance) C4'-P energy: -62.394 bonds (distance) P-C4' energy: -68.147 flat angles C4'-P-C4' energy: -78.674 flat angles P-C4'-P energy: -61.465 tors. eta vs tors. theta energy: -116.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1142.780616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.780616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.780616 (E_RNA) where: Base-Base interactions energy: -769.668 where: short stacking energy: -347.785 Base-Backbone interact. energy: -2.728 local terms energy: -370.384662 where: bonds (distance) C4'-P energy: -69.033 bonds (distance) P-C4' energy: -62.130 flat angles C4'-P-C4' energy: -84.847 flat angles P-C4'-P energy: -50.090 tors. eta vs tors. theta energy: -104.284 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: 257 Temperature: 1.000000 Total energy: -1069.959739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.959739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.959739 (E_RNA) where: Base-Base interactions energy: -703.958 where: short stacking energy: -323.712 Base-Backbone interact. energy: -0.864 local terms energy: -365.137237 where: bonds (distance) C4'-P energy: -67.807 bonds (distance) P-C4' energy: -68.462 flat angles C4'-P-C4' energy: -73.062 flat angles P-C4'-P energy: -63.950 tors. eta vs tors. theta energy: -91.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -993.580062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.580062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.580062 (E_RNA) where: Base-Base interactions energy: -648.943 where: short stacking energy: -306.156 Base-Backbone interact. energy: -1.268 local terms energy: -343.369448 where: bonds (distance) C4'-P energy: -70.501 bonds (distance) P-C4' energy: -75.099 flat angles C4'-P-C4' energy: -72.730 flat angles P-C4'-P energy: -33.223 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: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -930.663654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.663654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.663654 (E_RNA) where: Base-Base interactions energy: -591.896 where: short stacking energy: -292.450 Base-Backbone interact. energy: -1.124 local terms energy: -337.643669 where: bonds (distance) C4'-P energy: -69.380 bonds (distance) P-C4' energy: -65.900 flat angles C4'-P-C4' energy: -71.263 flat angles P-C4'-P energy: -47.181 tors. eta vs tors. theta energy: -83.920 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: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -766.695321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.695321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.695321 (E_RNA) where: Base-Base interactions energy: -485.387 where: short stacking energy: -244.465 Base-Backbone interact. energy: -0.662 local terms energy: -280.646321 where: bonds (distance) C4'-P energy: -60.814 bonds (distance) P-C4' energy: -52.080 flat angles C4'-P-C4' energy: -63.093 flat angles P-C4'-P energy: -38.109 tors. eta vs tors. theta energy: -66.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -780.689571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.689571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.689571 (E_RNA) where: Base-Base interactions energy: -479.756 where: short stacking energy: -224.153 Base-Backbone interact. energy: -0.180 local terms energy: -300.753325 where: bonds (distance) C4'-P energy: -68.136 bonds (distance) P-C4' energy: -51.074 flat angles C4'-P-C4' energy: -71.471 flat angles P-C4'-P energy: -49.398 tors. eta vs tors. theta energy: -60.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -588.777284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.777284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.777284 (E_RNA) where: Base-Base interactions energy: -333.079 where: short stacking energy: -161.605 Base-Backbone interact. energy: -1.417 local terms energy: -254.281446 where: bonds (distance) C4'-P energy: -52.273 bonds (distance) P-C4' energy: -65.670 flat angles C4'-P-C4' energy: -54.740 flat angles P-C4'-P energy: -41.643 tors. eta vs tors. theta energy: -39.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -362.764032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.764032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.764032 (E_RNA) where: Base-Base interactions energy: -173.861 where: short stacking energy: -96.401 Base-Backbone interact. energy: 0.422 local terms energy: -189.324645 where: bonds (distance) C4'-P energy: -48.580 bonds (distance) P-C4' energy: -65.315 flat angles C4'-P-C4' energy: -49.049 flat angles P-C4'-P energy: -16.662 tors. eta vs tors. theta energy: -9.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -346.766764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.766764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.766764 (E_RNA) where: Base-Base interactions energy: -147.143 where: short stacking energy: -107.093 Base-Backbone interact. energy: 0.975 local terms energy: -200.599352 where: bonds (distance) C4'-P energy: -57.975 bonds (distance) P-C4' energy: -53.027 flat angles C4'-P-C4' energy: -63.122 flat angles P-C4'-P energy: -23.243 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1176.204296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.204296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.204296 (E_RNA) where: Base-Base interactions energy: -797.101 where: short stacking energy: -371.990 Base-Backbone interact. energy: -0.385 local terms energy: -378.718571 where: bonds (distance) C4'-P energy: -70.280 bonds (distance) P-C4' energy: -70.090 flat angles C4'-P-C4' energy: -74.855 flat angles P-C4'-P energy: -49.276 tors. eta vs tors. theta energy: -114.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1131.922959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.922959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.922959 (E_RNA) where: Base-Base interactions energy: -766.055 where: short stacking energy: -343.316 Base-Backbone interact. energy: -2.120 local terms energy: -363.748397 where: bonds (distance) C4'-P energy: -66.551 bonds (distance) P-C4' energy: -73.686 flat angles C4'-P-C4' energy: -74.476 flat angles P-C4'-P energy: -50.561 tors. eta vs tors. theta energy: -98.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1010.943444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.943444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.943444 (E_RNA) where: Base-Base interactions energy: -676.007 where: short stacking energy: -314.192 Base-Backbone interact. energy: 0.748 local terms energy: -335.685043 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -70.580 flat angles C4'-P-C4' energy: -72.489 flat angles P-C4'-P energy: -43.204 tors. eta vs tors. theta energy: -82.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1022.904446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.904446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.904446 (E_RNA) where: Base-Base interactions energy: -689.542 where: short stacking energy: -327.408 Base-Backbone interact. energy: -0.622 local terms energy: -332.740949 where: bonds (distance) C4'-P energy: -61.148 bonds (distance) P-C4' energy: -61.071 flat angles C4'-P-C4' energy: -68.972 flat angles P-C4'-P energy: -46.232 tors. eta vs tors. theta energy: -95.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -952.038937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.038937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.038937 (E_RNA) where: Base-Base interactions energy: -638.113 where: short stacking energy: -303.383 Base-Backbone interact. energy: -1.104 local terms energy: -312.822134 where: bonds (distance) C4'-P energy: -55.140 bonds (distance) P-C4' energy: -67.037 flat angles C4'-P-C4' energy: -69.703 flat angles P-C4'-P energy: -40.856 tors. eta vs tors. theta energy: -80.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -789.571695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.571695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.571695 (E_RNA) where: Base-Base interactions energy: -483.759 where: short stacking energy: -231.622 Base-Backbone interact. energy: -2.457 local terms energy: -303.355570 where: bonds (distance) C4'-P energy: -61.945 bonds (distance) P-C4' energy: -66.765 flat angles C4'-P-C4' energy: -64.858 flat angles P-C4'-P energy: -43.652 tors. eta vs tors. theta energy: -66.136 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: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -775.905211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.905211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.905211 (E_RNA) where: Base-Base interactions energy: -498.617 where: short stacking energy: -240.466 Base-Backbone interact. energy: -0.474 local terms energy: -276.814415 where: bonds (distance) C4'-P energy: -57.915 bonds (distance) P-C4' energy: -55.375 flat angles C4'-P-C4' energy: -67.611 flat angles P-C4'-P energy: -35.681 tors. eta vs tors. theta energy: -60.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -591.928246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.928246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.928246 (E_RNA) where: Base-Base interactions energy: -349.384 where: short stacking energy: -179.692 Base-Backbone interact. energy: -1.423 local terms energy: -241.121594 where: bonds (distance) C4'-P energy: -54.572 bonds (distance) P-C4' energy: -53.356 flat angles C4'-P-C4' energy: -61.930 flat angles P-C4'-P energy: -31.892 tors. eta vs tors. theta energy: -39.372 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: 10 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -360.226772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.226772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.226772 (E_RNA) where: Base-Base interactions energy: -165.093 where: short stacking energy: -112.669 Base-Backbone interact. energy: 1.905 local terms energy: -197.038699 where: bonds (distance) C4'-P energy: -57.469 bonds (distance) P-C4' energy: -56.598 flat angles C4'-P-C4' energy: -47.577 flat angles P-C4'-P energy: -33.568 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -336.977185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.977185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.977185 (E_RNA) where: Base-Base interactions energy: -169.271 where: short stacking energy: -106.976 Base-Backbone interact. energy: -1.293 local terms energy: -166.413977 where: bonds (distance) C4'-P energy: -32.400 bonds (distance) P-C4' energy: -53.738 flat angles C4'-P-C4' energy: -44.828 flat angles P-C4'-P energy: -31.622 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1173.473893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.473893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.473893 (E_RNA) where: Base-Base interactions energy: -802.634 where: short stacking energy: -378.754 Base-Backbone interact. energy: -0.783 local terms energy: -370.057341 where: bonds (distance) C4'-P energy: -62.093 bonds (distance) P-C4' energy: -66.030 flat angles C4'-P-C4' energy: -76.154 flat angles P-C4'-P energy: -50.498 tors. eta vs tors. theta energy: -115.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1117.351842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.351842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.351842 (E_RNA) where: Base-Base interactions energy: -752.585 where: short stacking energy: -358.795 Base-Backbone interact. energy: -2.395 local terms energy: -362.371989 where: bonds (distance) C4'-P energy: -69.548 bonds (distance) P-C4' energy: -65.766 flat angles C4'-P-C4' energy: -72.552 flat angles P-C4'-P energy: -48.612 tors. eta vs tors. theta energy: -105.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1022.102503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.102503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.102503 (E_RNA) where: Base-Base interactions energy: -682.564 where: short stacking energy: -307.736 Base-Backbone interact. energy: -1.160 local terms energy: -338.378664 where: bonds (distance) C4'-P energy: -58.284 bonds (distance) P-C4' energy: -75.540 flat angles C4'-P-C4' energy: -77.129 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -83.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1005.702769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.702769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.702769 (E_RNA) where: Base-Base interactions energy: -678.435 where: short stacking energy: -319.256 Base-Backbone interact. energy: -1.653 local terms energy: -325.615185 where: bonds (distance) C4'-P energy: -63.072 bonds (distance) P-C4' energy: -66.153 flat angles C4'-P-C4' energy: -73.410 flat angles P-C4'-P energy: -36.243 tors. eta vs tors. theta energy: -86.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -940.343045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.343045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.343045 (E_RNA) where: Base-Base interactions energy: -625.156 where: short stacking energy: -292.072 Base-Backbone interact. energy: 0.285 local terms energy: -315.471965 where: bonds (distance) C4'-P energy: -62.849 bonds (distance) P-C4' energy: -74.173 flat angles C4'-P-C4' energy: -61.858 flat angles P-C4'-P energy: -31.530 tors. eta vs tors. theta energy: -85.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -774.879068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.879068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.879068 (E_RNA) where: Base-Base interactions energy: -480.119 where: short stacking energy: -251.698 Base-Backbone interact. energy: 0.195 local terms energy: -294.954841 where: bonds (distance) C4'-P energy: -64.341 bonds (distance) P-C4' energy: -54.892 flat angles C4'-P-C4' energy: -72.303 flat angles P-C4'-P energy: -38.190 tors. eta vs tors. theta energy: -65.229 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: 259 Temperature: 1.200000 Total energy: -731.661456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.661456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.661456 (E_RNA) where: Base-Base interactions energy: -453.635 where: short stacking energy: -206.646 Base-Backbone interact. energy: -1.329 local terms energy: -276.697221 where: bonds (distance) C4'-P energy: -62.378 bonds (distance) P-C4' energy: -64.197 flat angles C4'-P-C4' energy: -60.682 flat angles P-C4'-P energy: -34.606 tors. eta vs tors. theta energy: -54.834 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: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -606.610753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.610753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.610753 (E_RNA) where: Base-Base interactions energy: -351.753 where: short stacking energy: -191.188 Base-Backbone interact. energy: -1.615 local terms energy: -253.242529 where: bonds (distance) C4'-P energy: -55.779 bonds (distance) P-C4' energy: -60.735 flat angles C4'-P-C4' energy: -50.564 flat angles P-C4'-P energy: -45.659 tors. eta vs tors. theta energy: -40.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -402.404148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.404148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.404148 (E_RNA) where: Base-Base interactions energy: -201.942 where: short stacking energy: -91.218 Base-Backbone interact. energy: -2.662 local terms energy: -197.800146 where: bonds (distance) C4'-P energy: -51.349 bonds (distance) P-C4' energy: -56.567 flat angles C4'-P-C4' energy: -55.804 flat angles P-C4'-P energy: -30.523 tors. eta vs tors. theta energy: -3.557 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: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -333.743905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.743905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.743905 (E_RNA) where: Base-Base interactions energy: -156.345 where: short stacking energy: -107.927 Base-Backbone interact. energy: 1.384 local terms energy: -178.782722 where: bonds (distance) C4'-P energy: -49.003 bonds (distance) P-C4' energy: -52.512 flat angles C4'-P-C4' energy: -55.866 flat angles P-C4'-P energy: -22.770 tors. eta vs tors. theta energy: 1.368 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: 1, replica: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1176.631417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.631417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.631417 (E_RNA) where: Base-Base interactions energy: -801.297 where: short stacking energy: -381.298 Base-Backbone interact. energy: -1.172 local terms energy: -374.162265 where: bonds (distance) C4'-P energy: -65.904 bonds (distance) P-C4' energy: -63.142 flat angles C4'-P-C4' energy: -79.995 flat angles P-C4'-P energy: -54.229 tors. eta vs tors. theta energy: -110.893 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: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1109.941971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.941971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.941971 (E_RNA) where: Base-Base interactions energy: -745.025 where: short stacking energy: -346.669 Base-Backbone interact. energy: -0.541 local terms energy: -364.375207 where: bonds (distance) C4'-P energy: -75.957 bonds (distance) P-C4' energy: -65.178 flat angles C4'-P-C4' energy: -72.176 flat angles P-C4'-P energy: -43.610 tors. eta vs tors. theta energy: -107.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1046.933442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.933442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.933442 (E_RNA) where: Base-Base interactions energy: -708.501 where: short stacking energy: -334.433 Base-Backbone interact. energy: -1.418 local terms energy: -337.014881 where: bonds (distance) C4'-P energy: -59.102 bonds (distance) P-C4' energy: -62.358 flat angles C4'-P-C4' energy: -73.950 flat angles P-C4'-P energy: -43.960 tors. eta vs tors. theta energy: -97.644 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: 5 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -993.288479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.288479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.288479 (E_RNA) where: Base-Base interactions energy: -652.380 where: short stacking energy: -302.614 Base-Backbone interact. energy: -0.680 local terms energy: -340.229193 where: bonds (distance) C4'-P energy: -54.585 bonds (distance) P-C4' energy: -68.099 flat angles C4'-P-C4' energy: -76.298 flat angles P-C4'-P energy: -46.549 tors. eta vs tors. theta energy: -94.698 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: 4 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -986.107855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.107855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.107855 (E_RNA) where: Base-Base interactions energy: -657.343 where: short stacking energy: -318.779 Base-Backbone interact. energy: -1.214 local terms energy: -327.551241 where: bonds (distance) C4'-P energy: -58.274 bonds (distance) P-C4' energy: -59.901 flat angles C4'-P-C4' energy: -64.324 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -92.088 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: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -799.547112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.547112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.547112 (E_RNA) where: Base-Base interactions energy: -500.156 where: short stacking energy: -235.655 Base-Backbone interact. energy: 0.203 local terms energy: -299.594807 where: bonds (distance) C4'-P energy: -63.032 bonds (distance) P-C4' energy: -64.544 flat angles C4'-P-C4' energy: -67.715 flat angles P-C4'-P energy: -40.957 tors. eta vs tors. theta energy: -63.347 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: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -733.115042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.115042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.115042 (E_RNA) where: Base-Base interactions energy: -462.505 where: short stacking energy: -207.184 Base-Backbone interact. energy: -0.389 local terms energy: -270.221555 where: bonds (distance) C4'-P energy: -57.503 bonds (distance) P-C4' energy: -67.324 flat angles C4'-P-C4' energy: -67.327 flat angles P-C4'-P energy: -34.178 tors. eta vs tors. theta energy: -43.890 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: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -578.924634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.924634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.924634 (E_RNA) where: Base-Base interactions energy: -337.859 where: short stacking energy: -173.388 Base-Backbone interact. energy: 2.550 local terms energy: -243.616125 where: bonds (distance) C4'-P energy: -40.720 bonds (distance) P-C4' energy: -62.229 flat angles C4'-P-C4' energy: -63.908 flat angles P-C4'-P energy: -41.290 tors. eta vs tors. theta energy: -35.469 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: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -444.985995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.985995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.985995 (E_RNA) where: Base-Base interactions energy: -223.442 where: short stacking energy: -139.131 Base-Backbone interact. energy: -1.017 local terms energy: -220.526992 where: bonds (distance) C4'-P energy: -50.108 bonds (distance) P-C4' energy: -73.320 flat angles C4'-P-C4' energy: -57.862 flat angles P-C4'-P energy: -27.173 tors. eta vs tors. theta energy: -12.065 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: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -300.558511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.558511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.558511 (E_RNA) where: Base-Base interactions energy: -130.693 where: short stacking energy: -104.790 Base-Backbone interact. energy: -1.737 local terms energy: -168.128185 where: bonds (distance) C4'-P energy: -51.875 bonds (distance) P-C4' energy: -54.323 flat angles C4'-P-C4' energy: -46.582 flat angles P-C4'-P energy: -15.819 tors. eta vs tors. theta energy: 0.472 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: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1182.713082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.713082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.713082 (E_RNA) where: Base-Base interactions energy: -804.797 where: short stacking energy: -398.951 Base-Backbone interact. energy: 0.236 local terms energy: -378.152133 where: bonds (distance) C4'-P energy: -67.200 bonds (distance) P-C4' energy: -73.974 flat angles C4'-P-C4' energy: -70.829 flat angles P-C4'-P energy: -51.291 tors. eta vs tors. theta energy: -114.858 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: 8 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1136.788463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.788463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.788463 (E_RNA) where: Base-Base interactions energy: -759.605 where: short stacking energy: -347.287 Base-Backbone interact. energy: 1.874 local terms energy: -379.057295 where: bonds (distance) C4'-P energy: -73.527 bonds (distance) P-C4' energy: -72.113 flat angles C4'-P-C4' energy: -74.387 flat angles P-C4'-P energy: -54.992 tors. eta vs tors. theta energy: -104.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1056.161146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.161146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.161146 (E_RNA) where: Base-Base interactions energy: -700.157 where: short stacking energy: -311.869 Base-Backbone interact. energy: -0.124 local terms energy: -355.880538 where: bonds (distance) C4'-P energy: -74.119 bonds (distance) P-C4' energy: -70.278 flat angles C4'-P-C4' energy: -77.904 flat angles P-C4'-P energy: -37.865 tors. eta vs tors. theta energy: -95.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -984.442169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.442169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.442169 (E_RNA) where: Base-Base interactions energy: -654.736 where: short stacking energy: -309.309 Base-Backbone interact. energy: -0.589 local terms energy: -329.117694 where: bonds (distance) C4'-P energy: -64.736 bonds (distance) P-C4' energy: -55.560 flat angles C4'-P-C4' energy: -75.932 flat angles P-C4'-P energy: -50.964 tors. eta vs tors. theta energy: -81.926 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: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -965.408134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.408134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.408134 (E_RNA) where: Base-Base interactions energy: -651.825 where: short stacking energy: -293.274 Base-Backbone interact. energy: 0.584 local terms energy: -314.167408 where: bonds (distance) C4'-P energy: -58.364 bonds (distance) P-C4' energy: -65.659 flat angles C4'-P-C4' energy: -62.598 flat angles P-C4'-P energy: -45.919 tors. eta vs tors. theta energy: -81.628 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: 261 Temperature: 1.150000 Total energy: -775.732346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.732346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.732346 (E_RNA) where: Base-Base interactions energy: -471.469 where: short stacking energy: -243.384 Base-Backbone interact. energy: -0.464 local terms energy: -303.799445 where: bonds (distance) C4'-P energy: -65.858 bonds (distance) P-C4' energy: -67.119 flat angles C4'-P-C4' energy: -56.343 flat angles P-C4'-P energy: -47.560 tors. eta vs tors. theta energy: -66.920 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: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -793.907942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.907942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.907942 (E_RNA) where: Base-Base interactions energy: -504.671 where: short stacking energy: -244.013 Base-Backbone interact. energy: -0.466 local terms energy: -288.770458 where: bonds (distance) C4'-P energy: -62.078 bonds (distance) P-C4' energy: -57.909 flat angles C4'-P-C4' energy: -67.979 flat angles P-C4'-P energy: -44.283 tors. eta vs tors. theta energy: -56.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -599.851274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.851274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.851274 (E_RNA) where: Base-Base interactions energy: -330.192 where: short stacking energy: -183.557 Base-Backbone interact. energy: -1.238 local terms energy: -268.421296 where: bonds (distance) C4'-P energy: -61.344 bonds (distance) P-C4' energy: -58.275 flat angles C4'-P-C4' energy: -66.576 flat angles P-C4'-P energy: -45.051 tors. eta vs tors. theta energy: -37.175 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: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -419.709768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.709768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.709768 (E_RNA) where: Base-Base interactions energy: -212.438 where: short stacking energy: -122.311 Base-Backbone interact. energy: -1.224 local terms energy: -206.048493 where: bonds (distance) C4'-P energy: -54.120 bonds (distance) P-C4' energy: -53.642 flat angles C4'-P-C4' energy: -55.335 flat angles P-C4'-P energy: -35.434 tors. eta vs tors. theta energy: -7.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -296.467671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.467671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.467671 (E_RNA) where: Base-Base interactions energy: -106.392 where: short stacking energy: -89.147 Base-Backbone interact. energy: 3.640 local terms energy: -193.715457 where: bonds (distance) C4'-P energy: -58.132 bonds (distance) P-C4' energy: -62.662 flat angles C4'-P-C4' energy: -64.515 flat angles P-C4'-P energy: -29.340 tors. eta vs tors. theta energy: 20.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1147.107091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.107091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.107091 (E_RNA) where: Base-Base interactions energy: -775.793 where: short stacking energy: -349.304 Base-Backbone interact. energy: -0.251 local terms energy: -371.062774 where: bonds (distance) C4'-P energy: -63.403 bonds (distance) P-C4' energy: -66.410 flat angles C4'-P-C4' energy: -82.353 flat angles P-C4'-P energy: -53.057 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: 2, replica: 1 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1154.034110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.034110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.034110 (E_RNA) where: Base-Base interactions energy: -778.199 where: short stacking energy: -358.807 Base-Backbone interact. energy: 0.279 local terms energy: -376.113973 where: bonds (distance) C4'-P energy: -66.561 bonds (distance) P-C4' energy: -70.184 flat angles C4'-P-C4' energy: -76.548 flat angles P-C4'-P energy: -54.892 tors. eta vs tors. theta energy: -107.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1046.505256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.505256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.505256 (E_RNA) where: Base-Base interactions energy: -696.723 where: short stacking energy: -327.304 Base-Backbone interact. energy: -0.124 local terms energy: -349.657838 where: bonds (distance) C4'-P energy: -66.046 bonds (distance) P-C4' energy: -71.811 flat angles C4'-P-C4' energy: -78.027 flat angles P-C4'-P energy: -43.081 tors. eta vs tors. theta energy: -90.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1015.781544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.781544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.781544 (E_RNA) where: Base-Base interactions energy: -675.845 where: short stacking energy: -311.698 Base-Backbone interact. energy: 0.821 local terms energy: -340.757289 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -64.706 flat angles C4'-P-C4' energy: -73.401 flat angles P-C4'-P energy: -50.401 tors. eta vs tors. theta energy: -94.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -921.508564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.508564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.508564 (E_RNA) where: Base-Base interactions energy: -603.329 where: short stacking energy: -284.591 Base-Backbone interact. energy: 1.596 local terms energy: -319.774793 where: bonds (distance) C4'-P energy: -66.368 bonds (distance) P-C4' energy: -54.056 flat angles C4'-P-C4' energy: -75.455 flat angles P-C4'-P energy: -39.788 tors. eta vs tors. theta energy: -84.108 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: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -785.301606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.301606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.301606 (E_RNA) where: Base-Base interactions energy: -470.791 where: short stacking energy: -249.957 Base-Backbone interact. energy: -1.374 local terms energy: -313.136444 where: bonds (distance) C4'-P energy: -72.702 bonds (distance) P-C4' energy: -64.581 flat angles C4'-P-C4' energy: -62.347 flat angles P-C4'-P energy: -48.864 tors. eta vs tors. theta energy: -64.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -768.001272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.001272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.001272 (E_RNA) where: Base-Base interactions energy: -472.647 where: short stacking energy: -239.024 Base-Backbone interact. energy: -0.613 local terms energy: -294.740529 where: bonds (distance) C4'-P energy: -63.438 bonds (distance) P-C4' energy: -60.869 flat angles C4'-P-C4' energy: -60.711 flat angles P-C4'-P energy: -40.527 tors. eta vs tors. theta energy: -69.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -573.079923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.079923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.079923 (E_RNA) where: Base-Base interactions energy: -341.642 where: short stacking energy: -196.108 Base-Backbone interact. energy: -0.850 local terms energy: -230.588355 where: bonds (distance) C4'-P energy: -55.237 bonds (distance) P-C4' energy: -48.594 flat angles C4'-P-C4' energy: -46.281 flat angles P-C4'-P energy: -48.645 tors. eta vs tors. theta energy: -31.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -404.180302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.180302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.180302 (E_RNA) where: Base-Base interactions energy: -195.622 where: short stacking energy: -116.197 Base-Backbone interact. energy: 0.346 local terms energy: -208.903704 where: bonds (distance) C4'-P energy: -58.046 bonds (distance) P-C4' energy: -55.568 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -25.738 tors. eta vs tors. theta energy: -8.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -308.360885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.360885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.360885 (E_RNA) where: Base-Base interactions energy: -102.119 where: short stacking energy: -89.078 Base-Backbone interact. energy: 2.468 local terms energy: -208.709494 where: bonds (distance) C4'-P energy: -48.573 bonds (distance) P-C4' energy: -59.151 flat angles C4'-P-C4' energy: -62.161 flat angles P-C4'-P energy: -40.245 tors. eta vs tors. theta energy: 1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1166.056898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.056898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.056898 (E_RNA) where: Base-Base interactions energy: -786.567 where: short stacking energy: -360.977 Base-Backbone interact. energy: -1.579 local terms energy: -377.911553 where: bonds (distance) C4'-P energy: -69.499 bonds (distance) P-C4' energy: -64.388 flat angles C4'-P-C4' energy: -81.692 flat angles P-C4'-P energy: -55.021 tors. eta vs tors. theta energy: -107.312 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: 1 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1146.212051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.212051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.212051 (E_RNA) where: Base-Base interactions energy: -777.195 where: short stacking energy: -376.136 Base-Backbone interact. energy: 2.922 local terms energy: -371.939051 where: bonds (distance) C4'-P energy: -65.853 bonds (distance) P-C4' energy: -67.368 flat angles C4'-P-C4' energy: -77.247 flat angles P-C4'-P energy: -49.860 tors. eta vs tors. theta energy: -111.610 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: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1022.647288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.647288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.647288 (E_RNA) where: Base-Base interactions energy: -674.389 where: short stacking energy: -311.320 Base-Backbone interact. energy: -1.714 local terms energy: -346.544081 where: bonds (distance) C4'-P energy: -58.242 bonds (distance) P-C4' energy: -68.512 flat angles C4'-P-C4' energy: -71.671 flat angles P-C4'-P energy: -53.135 tors. eta vs tors. theta energy: -94.984 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: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1008.009984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.009984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.009984 (E_RNA) where: Base-Base interactions energy: -671.516 where: short stacking energy: -313.027 Base-Backbone interact. energy: -0.759 local terms energy: -335.735538 where: bonds (distance) C4'-P energy: -60.611 bonds (distance) P-C4' energy: -66.206 flat angles C4'-P-C4' energy: -72.911 flat angles P-C4'-P energy: -48.106 tors. eta vs tors. theta energy: -87.903 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: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -964.245345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.245345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.245345 (E_RNA) where: Base-Base interactions energy: -655.421 where: short stacking energy: -306.109 Base-Backbone interact. energy: 5.045 local terms energy: -313.869041 where: bonds (distance) C4'-P energy: -59.756 bonds (distance) P-C4' energy: -64.305 flat angles C4'-P-C4' energy: -65.899 flat angles P-C4'-P energy: -48.357 tors. eta vs tors. theta energy: -75.551 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: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -808.063490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.063490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.063490 (E_RNA) where: Base-Base interactions energy: -500.642 where: short stacking energy: -242.807 Base-Backbone interact. energy: -0.013 local terms energy: -307.409282 where: bonds (distance) C4'-P energy: -66.265 bonds (distance) P-C4' energy: -62.410 flat angles C4'-P-C4' energy: -67.222 flat angles P-C4'-P energy: -51.449 tors. eta vs tors. theta energy: -60.063 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: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -741.883750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.883750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.883750 (E_RNA) where: Base-Base interactions energy: -463.063 where: short stacking energy: -235.692 Base-Backbone interact. energy: -0.718 local terms energy: -278.103272 where: bonds (distance) C4'-P energy: -48.583 bonds (distance) P-C4' energy: -62.327 flat angles C4'-P-C4' energy: -58.468 flat angles P-C4'-P energy: -48.208 tors. eta vs tors. theta energy: -60.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -588.651167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.651167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.651167 (E_RNA) where: Base-Base interactions energy: -351.209 where: short stacking energy: -175.774 Base-Backbone interact. energy: 2.577 local terms energy: -240.018892 where: bonds (distance) C4'-P energy: -49.907 bonds (distance) P-C4' energy: -61.559 flat angles C4'-P-C4' energy: -63.399 flat angles P-C4'-P energy: -32.208 tors. eta vs tors. theta energy: -32.946 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: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -391.577425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.577425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.577425 (E_RNA) where: Base-Base interactions energy: -192.723 where: short stacking energy: -109.987 Base-Backbone interact. energy: 1.367 local terms energy: -200.221534 where: bonds (distance) C4'-P energy: -51.394 bonds (distance) P-C4' energy: -62.230 flat angles C4'-P-C4' energy: -39.458 flat angles P-C4'-P energy: -39.098 tors. eta vs tors. theta energy: -8.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -316.409509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.409509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.409509 (E_RNA) where: Base-Base interactions energy: -132.110 where: short stacking energy: -101.130 Base-Backbone interact. energy: -0.897 local terms energy: -183.402378 where: bonds (distance) C4'-P energy: -53.027 bonds (distance) P-C4' energy: -41.648 flat angles C4'-P-C4' energy: -51.676 flat angles P-C4'-P energy: -32.626 tors. eta vs tors. theta energy: -4.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1167.199862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.199862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.199862 (E_RNA) where: Base-Base interactions energy: -802.186 where: short stacking energy: -388.399 Base-Backbone interact. energy: -0.181 local terms energy: -364.833571 where: bonds (distance) C4'-P energy: -62.877 bonds (distance) P-C4' energy: -64.869 flat angles C4'-P-C4' energy: -78.719 flat angles P-C4'-P energy: -49.797 tors. eta vs tors. theta energy: -108.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1132.076305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.076305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.076305 (E_RNA) where: Base-Base interactions energy: -759.171 where: short stacking energy: -341.709 Base-Backbone interact. energy: -1.630 local terms energy: -371.275128 where: bonds (distance) C4'-P energy: -63.840 bonds (distance) P-C4' energy: -71.185 flat angles C4'-P-C4' energy: -78.610 flat angles P-C4'-P energy: -57.913 tors. eta vs tors. theta energy: -99.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1029.883743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.883743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.883743 (E_RNA) where: Base-Base interactions energy: -695.486 where: short stacking energy: -297.174 Base-Backbone interact. energy: 1.228 local terms energy: -335.625685 where: bonds (distance) C4'-P energy: -56.662 bonds (distance) P-C4' energy: -62.692 flat angles C4'-P-C4' energy: -74.902 flat angles P-C4'-P energy: -53.282 tors. eta vs tors. theta energy: -88.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1026.728937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.728937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.728937 (E_RNA) where: Base-Base interactions energy: -676.804 where: short stacking energy: -324.790 Base-Backbone interact. energy: -0.568 local terms energy: -349.357188 where: bonds (distance) C4'-P energy: -73.940 bonds (distance) P-C4' energy: -67.242 flat angles C4'-P-C4' energy: -75.974 flat angles P-C4'-P energy: -39.056 tors. eta vs tors. theta energy: -93.146 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: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -951.856596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.856596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.856596 (E_RNA) where: Base-Base interactions energy: -646.345 where: short stacking energy: -305.780 Base-Backbone interact. energy: 1.476 local terms energy: -306.987819 where: bonds (distance) C4'-P energy: -63.382 bonds (distance) P-C4' energy: -69.201 flat angles C4'-P-C4' energy: -66.424 flat angles P-C4'-P energy: -33.390 tors. eta vs tors. theta energy: -74.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -778.320601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.320601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.320601 (E_RNA) where: Base-Base interactions energy: -489.277 where: short stacking energy: -217.768 Base-Backbone interact. energy: 1.167 local terms energy: -290.209946 where: bonds (distance) C4'-P energy: -54.636 bonds (distance) P-C4' energy: -72.360 flat angles C4'-P-C4' energy: -69.165 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -49.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -740.595433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.595433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.595433 (E_RNA) where: Base-Base interactions energy: -457.978 where: short stacking energy: -207.014 Base-Backbone interact. energy: -2.721 local terms energy: -279.896560 where: bonds (distance) C4'-P energy: -62.711 bonds (distance) P-C4' energy: -59.052 flat angles C4'-P-C4' energy: -69.801 flat angles P-C4'-P energy: -37.504 tors. eta vs tors. theta energy: -50.827 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: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -609.464369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.464369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.464369 (E_RNA) where: Base-Base interactions energy: -354.874 where: short stacking energy: -194.155 Base-Backbone interact. energy: 1.591 local terms energy: -256.180625 where: bonds (distance) C4'-P energy: -60.939 bonds (distance) P-C4' energy: -65.362 flat angles C4'-P-C4' energy: -62.178 flat angles P-C4'-P energy: -31.866 tors. eta vs tors. theta energy: -35.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -372.685439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.685439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.685439 (E_RNA) where: Base-Base interactions energy: -175.192 where: short stacking energy: -105.493 Base-Backbone interact. energy: 0.226 local terms energy: -197.719903 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -51.211 flat angles C4'-P-C4' energy: -44.430 flat angles P-C4'-P energy: -43.150 tors. eta vs tors. theta energy: -1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -292.659867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.659867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.659867 (E_RNA) where: Base-Base interactions energy: -103.729 where: short stacking energy: -81.888 Base-Backbone interact. energy: -3.438 local terms energy: -185.492480 where: bonds (distance) C4'-P energy: -56.648 bonds (distance) P-C4' energy: -62.427 flat angles C4'-P-C4' energy: -47.323 flat angles P-C4'-P energy: -29.326 tors. eta vs tors. theta energy: 10.231 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: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1178.290149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.290149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.290149 (E_RNA) where: Base-Base interactions energy: -802.442 where: short stacking energy: -382.508 Base-Backbone interact. energy: 1.499 local terms energy: -377.347477 where: bonds (distance) C4'-P energy: -68.432 bonds (distance) P-C4' energy: -75.882 flat angles C4'-P-C4' energy: -78.589 flat angles P-C4'-P energy: -56.440 tors. eta vs tors. theta energy: -98.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1124.117911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.117911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.117911 (E_RNA) where: Base-Base interactions energy: -773.907 where: short stacking energy: -333.245 Base-Backbone interact. energy: -1.727 local terms energy: -348.483719 where: bonds (distance) C4'-P energy: -58.427 bonds (distance) P-C4' energy: -73.385 flat angles C4'-P-C4' energy: -75.909 flat angles P-C4'-P energy: -49.142 tors. eta vs tors. theta energy: -91.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1038.961800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.961800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.961800 (E_RNA) where: Base-Base interactions energy: -707.287 where: short stacking energy: -315.994 Base-Backbone interact. energy: 0.581 local terms energy: -332.255984 where: bonds (distance) C4'-P energy: -62.782 bonds (distance) P-C4' energy: -65.688 flat angles C4'-P-C4' energy: -71.107 flat angles P-C4'-P energy: -42.162 tors. eta vs tors. theta energy: -90.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1028.928700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.928700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.928700 (E_RNA) where: Base-Base interactions energy: -673.818 where: short stacking energy: -322.553 Base-Backbone interact. energy: -1.373 local terms energy: -353.737827 where: bonds (distance) C4'-P energy: -60.602 bonds (distance) P-C4' energy: -68.851 flat angles C4'-P-C4' energy: -76.724 flat angles P-C4'-P energy: -54.157 tors. eta vs tors. theta energy: -93.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -946.794350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.794350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.794350 (E_RNA) where: Base-Base interactions energy: -616.697 where: short stacking energy: -293.231 Base-Backbone interact. energy: -2.851 local terms energy: -327.246693 where: bonds (distance) C4'-P energy: -64.962 bonds (distance) P-C4' energy: -69.782 flat angles C4'-P-C4' energy: -79.363 flat angles P-C4'-P energy: -35.093 tors. eta vs tors. theta energy: -78.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -790.042202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.042202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.042202 (E_RNA) where: Base-Base interactions energy: -493.312 where: short stacking energy: -227.868 Base-Backbone interact. energy: -1.426 local terms energy: -295.304208 where: bonds (distance) C4'-P energy: -68.189 bonds (distance) P-C4' energy: -72.410 flat angles C4'-P-C4' energy: -67.310 flat angles P-C4'-P energy: -41.667 tors. eta vs tors. theta energy: -45.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -782.712320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.712320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.712320 (E_RNA) where: Base-Base interactions energy: -492.974 where: short stacking energy: -239.844 Base-Backbone interact. energy: -0.969 local terms energy: -288.769337 where: bonds (distance) C4'-P energy: -62.645 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -66.371 flat angles P-C4'-P energy: -41.960 tors. eta vs tors. theta energy: -60.731 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: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -626.526373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.526373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.526373 (E_RNA) where: Base-Base interactions energy: -376.609 where: short stacking energy: -209.766 Base-Backbone interact. energy: 0.962 local terms energy: -250.879698 where: bonds (distance) C4'-P energy: -45.447 bonds (distance) P-C4' energy: -56.360 flat angles C4'-P-C4' energy: -52.704 flat angles P-C4'-P energy: -42.604 tors. eta vs tors. theta energy: -53.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -370.596054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.596054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.596054 (E_RNA) where: Base-Base interactions energy: -157.975 where: short stacking energy: -104.219 Base-Backbone interact. energy: 0.872 local terms energy: -213.493566 where: bonds (distance) C4'-P energy: -64.312 bonds (distance) P-C4' energy: -64.438 flat angles C4'-P-C4' energy: -50.840 flat angles P-C4'-P energy: -29.517 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: 10, replica: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -281.120782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.120782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.120782 (E_RNA) where: Base-Base interactions energy: -96.531 where: short stacking energy: -83.245 Base-Backbone interact. energy: 4.321 local terms energy: -188.910021 where: bonds (distance) C4'-P energy: -54.416 bonds (distance) P-C4' energy: -57.225 flat angles C4'-P-C4' energy: -67.120 flat angles P-C4'-P energy: -20.105 tors. eta vs tors. theta energy: 9.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1143.877459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.877459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.877459 (E_RNA) where: Base-Base interactions energy: -755.608 where: short stacking energy: -343.115 Base-Backbone interact. energy: -0.137 local terms energy: -388.132654 where: bonds (distance) C4'-P energy: -71.935 bonds (distance) P-C4' energy: -72.638 flat angles C4'-P-C4' energy: -80.571 flat angles P-C4'-P energy: -58.682 tors. eta vs tors. theta energy: -104.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1135.572704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.572704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.572704 (E_RNA) where: Base-Base interactions energy: -757.187 where: short stacking energy: -367.109 Base-Backbone interact. energy: -0.370 local terms energy: -378.015695 where: bonds (distance) C4'-P energy: -73.923 bonds (distance) P-C4' energy: -67.426 flat angles C4'-P-C4' energy: -76.365 flat angles P-C4'-P energy: -52.004 tors. eta vs tors. theta energy: -108.298 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: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1048.395856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.395856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.395856 (E_RNA) where: Base-Base interactions energy: -706.043 where: short stacking energy: -325.364 Base-Backbone interact. energy: -0.374 local terms energy: -341.978937 where: bonds (distance) C4'-P energy: -64.148 bonds (distance) P-C4' energy: -65.176 flat angles C4'-P-C4' energy: -72.001 flat angles P-C4'-P energy: -47.818 tors. eta vs tors. theta energy: -92.837 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: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1023.376375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.376375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.376375 (E_RNA) where: Base-Base interactions energy: -671.519 where: short stacking energy: -316.324 Base-Backbone interact. energy: -0.580 local terms energy: -351.278064 where: bonds (distance) C4'-P energy: -62.168 bonds (distance) P-C4' energy: -69.743 flat angles C4'-P-C4' energy: -76.169 flat angles P-C4'-P energy: -47.145 tors. eta vs tors. theta energy: -96.053 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: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -928.775868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.775868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.775868 (E_RNA) where: Base-Base interactions energy: -634.650 where: short stacking energy: -282.348 Base-Backbone interact. energy: 0.915 local terms energy: -295.041163 where: bonds (distance) C4'-P energy: -51.247 bonds (distance) P-C4' energy: -59.374 flat angles C4'-P-C4' energy: -63.314 flat angles P-C4'-P energy: -51.744 tors. eta vs tors. theta energy: -69.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -829.167388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.167388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.167388 (E_RNA) where: Base-Base interactions energy: -522.468 where: short stacking energy: -256.736 Base-Backbone interact. energy: -2.220 local terms energy: -304.480027 where: bonds (distance) C4'-P energy: -72.131 bonds (distance) P-C4' energy: -65.958 flat angles C4'-P-C4' energy: -60.464 flat angles P-C4'-P energy: -34.175 tors. eta vs tors. theta energy: -71.751 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: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -785.917997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.917997 (E_RNA) where: Base-Base interactions energy: -486.341 where: short stacking energy: -222.146 Base-Backbone interact. energy: 1.739 local terms energy: -301.315023 where: bonds (distance) C4'-P energy: -60.115 bonds (distance) P-C4' energy: -62.236 flat angles C4'-P-C4' energy: -65.461 flat angles P-C4'-P energy: -54.190 tors. eta vs tors. theta energy: -59.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -637.843629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.843629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.843629 (E_RNA) where: Base-Base interactions energy: -376.716 where: short stacking energy: -216.083 Base-Backbone interact. energy: -1.007 local terms energy: -260.121011 where: bonds (distance) C4'-P energy: -51.740 bonds (distance) P-C4' energy: -53.451 flat angles C4'-P-C4' energy: -59.035 flat angles P-C4'-P energy: -37.324 tors. eta vs tors. theta energy: -58.571 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: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -354.313336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.313336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.313336 (E_RNA) where: Base-Base interactions energy: -162.083 where: short stacking energy: -123.375 Base-Backbone interact. energy: 7.304 local terms energy: -199.534730 where: bonds (distance) C4'-P energy: -59.029 bonds (distance) P-C4' energy: -58.463 flat angles C4'-P-C4' energy: -62.411 flat angles P-C4'-P energy: -15.660 tors. eta vs tors. theta energy: -3.971 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: 10, replica: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -315.611335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.611335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.611335 (E_RNA) where: Base-Base interactions energy: -146.189 where: short stacking energy: -120.258 Base-Backbone interact. energy: 1.242 local terms energy: -170.664483 where: bonds (distance) C4'-P energy: -47.035 bonds (distance) P-C4' energy: -46.890 flat angles C4'-P-C4' energy: -51.232 flat angles P-C4'-P energy: -21.099 tors. eta vs tors. theta energy: -4.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1146.944450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.944450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.944450 (E_RNA) where: Base-Base interactions energy: -794.090 where: short stacking energy: -355.190 Base-Backbone interact. energy: -1.228 local terms energy: -351.626008 where: bonds (distance) C4'-P energy: -58.388 bonds (distance) P-C4' energy: -66.866 flat angles C4'-P-C4' energy: -77.251 flat angles P-C4'-P energy: -46.314 tors. eta vs tors. theta energy: -102.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1145.337835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.337835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.337835 (E_RNA) where: Base-Base interactions energy: -767.432 where: short stacking energy: -368.117 Base-Backbone interact. energy: -0.052 local terms energy: -377.854118 where: bonds (distance) C4'-P energy: -71.131 bonds (distance) P-C4' energy: -62.220 flat angles C4'-P-C4' energy: -79.740 flat angles P-C4'-P energy: -59.654 tors. eta vs tors. theta energy: -105.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1034.392418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.392418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.392418 (E_RNA) where: Base-Base interactions energy: -691.889 where: short stacking energy: -310.993 Base-Backbone interact. energy: -1.804 local terms energy: -340.699529 where: bonds (distance) C4'-P energy: -64.661 bonds (distance) P-C4' energy: -57.313 flat angles C4'-P-C4' energy: -70.702 flat angles P-C4'-P energy: -55.580 tors. eta vs tors. theta energy: -92.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1016.116011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.116011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.116011 (E_RNA) where: Base-Base interactions energy: -667.976 where: short stacking energy: -324.564 Base-Backbone interact. energy: 0.334 local terms energy: -348.474403 where: bonds (distance) C4'-P energy: -64.251 bonds (distance) P-C4' energy: -71.827 flat angles C4'-P-C4' energy: -64.171 flat angles P-C4'-P energy: -46.379 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: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -974.167977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.167977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.167977 (E_RNA) where: Base-Base interactions energy: -633.636 where: short stacking energy: -297.107 Base-Backbone interact. energy: -1.303 local terms energy: -339.228469 where: bonds (distance) C4'-P energy: -58.956 bonds (distance) P-C4' energy: -72.939 flat angles C4'-P-C4' energy: -71.351 flat angles P-C4'-P energy: -53.380 tors. eta vs tors. theta energy: -82.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -831.793420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.793420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.793420 (E_RNA) where: Base-Base interactions energy: -534.177 where: short stacking energy: -238.672 Base-Backbone interact. energy: 2.350 local terms energy: -299.966754 where: bonds (distance) C4'-P energy: -66.115 bonds (distance) P-C4' energy: -66.228 flat angles C4'-P-C4' energy: -59.408 flat angles P-C4'-P energy: -42.447 tors. eta vs tors. theta energy: -65.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -780.655729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.655729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.655729 (E_RNA) where: Base-Base interactions energy: -491.926 where: short stacking energy: -233.855 Base-Backbone interact. energy: -1.466 local terms energy: -287.264374 where: bonds (distance) C4'-P energy: -60.203 bonds (distance) P-C4' energy: -67.434 flat angles C4'-P-C4' energy: -73.318 flat angles P-C4'-P energy: -35.158 tors. eta vs tors. theta energy: -51.151 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: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -609.518991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.518991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.518991 (E_RNA) where: Base-Base interactions energy: -349.289 where: short stacking energy: -179.215 Base-Backbone interact. energy: -0.012 local terms energy: -260.217950 where: bonds (distance) C4'-P energy: -65.026 bonds (distance) P-C4' energy: -63.390 flat angles C4'-P-C4' energy: -56.842 flat angles P-C4'-P energy: -41.399 tors. eta vs tors. theta energy: -33.560 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: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -351.815198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.815198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.815198 (E_RNA) where: Base-Base interactions energy: -158.388 where: short stacking energy: -105.343 Base-Backbone interact. energy: 2.227 local terms energy: -195.653975 where: bonds (distance) C4'-P energy: -61.795 bonds (distance) P-C4' energy: -66.523 flat angles C4'-P-C4' energy: -39.322 flat angles P-C4'-P energy: -25.913 tors. eta vs tors. theta energy: -2.102 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: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -279.696185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.696185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.696185 (E_RNA) where: Base-Base interactions energy: -99.906 where: short stacking energy: -72.701 Base-Backbone interact. energy: -0.657 local terms energy: -179.133432 where: bonds (distance) C4'-P energy: -43.025 bonds (distance) P-C4' energy: -57.983 flat angles C4'-P-C4' energy: -46.535 flat angles P-C4'-P energy: -39.772 tors. eta vs tors. theta energy: 8.181 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: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1155.450995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.450995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.450995 (E_RNA) where: Base-Base interactions energy: -761.231 where: short stacking energy: -376.012 Base-Backbone interact. energy: -0.412 local terms energy: -393.807687 where: bonds (distance) C4'-P energy: -75.724 bonds (distance) P-C4' energy: -70.656 flat angles C4'-P-C4' energy: -82.673 flat angles P-C4'-P energy: -57.396 tors. eta vs tors. theta energy: -107.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1126.059064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.059064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.059064 (E_RNA) where: Base-Base interactions energy: -759.813 where: short stacking energy: -342.916 Base-Backbone interact. energy: -0.871 local terms energy: -365.374117 where: bonds (distance) C4'-P energy: -63.775 bonds (distance) P-C4' energy: -76.786 flat angles C4'-P-C4' energy: -72.190 flat angles P-C4'-P energy: -46.844 tors. eta vs tors. theta energy: -105.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1051.231969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.231969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.231969 (E_RNA) where: Base-Base interactions energy: -692.906 where: short stacking energy: -322.021 Base-Backbone interact. energy: -1.917 local terms energy: -356.408489 where: bonds (distance) C4'-P energy: -71.090 bonds (distance) P-C4' energy: -70.848 flat angles C4'-P-C4' energy: -77.660 flat angles P-C4'-P energy: -48.351 tors. eta vs tors. theta energy: -88.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1053.338345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.338345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.338345 (E_RNA) where: Base-Base interactions energy: -707.294 where: short stacking energy: -323.923 Base-Backbone interact. energy: -2.052 local terms energy: -343.992414 where: bonds (distance) C4'-P energy: -56.544 bonds (distance) P-C4' energy: -64.280 flat angles C4'-P-C4' energy: -71.785 flat angles P-C4'-P energy: -52.577 tors. eta vs tors. theta energy: -98.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -948.433686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.433686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.433686 (E_RNA) where: Base-Base interactions energy: -613.874 where: short stacking energy: -284.528 Base-Backbone interact. energy: 0.370 local terms energy: -334.929224 where: bonds (distance) C4'-P energy: -64.627 bonds (distance) P-C4' energy: -72.269 flat angles C4'-P-C4' energy: -78.292 flat angles P-C4'-P energy: -42.604 tors. eta vs tors. theta energy: -77.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -819.847886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.847886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.847886 (E_RNA) where: Base-Base interactions energy: -525.523 where: short stacking energy: -253.324 Base-Backbone interact. energy: -1.554 local terms energy: -292.771121 where: bonds (distance) C4'-P energy: -53.793 bonds (distance) P-C4' energy: -62.146 flat angles C4'-P-C4' energy: -72.280 flat angles P-C4'-P energy: -38.804 tors. eta vs tors. theta energy: -65.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -765.456019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.456019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.456019 (E_RNA) where: Base-Base interactions energy: -475.985 where: short stacking energy: -228.343 Base-Backbone interact. energy: -1.297 local terms energy: -288.173452 where: bonds (distance) C4'-P energy: -57.660 bonds (distance) P-C4' energy: -68.956 flat angles C4'-P-C4' energy: -65.073 flat angles P-C4'-P energy: -41.610 tors. eta vs tors. theta energy: -54.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -599.084209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.084209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.084209 (E_RNA) where: Base-Base interactions energy: -327.244 where: short stacking energy: -172.453 Base-Backbone interact. energy: 0.962 local terms energy: -272.801854 where: bonds (distance) C4'-P energy: -66.321 bonds (distance) P-C4' energy: -70.601 flat angles C4'-P-C4' energy: -69.809 flat angles P-C4'-P energy: -34.873 tors. eta vs tors. theta energy: -31.198 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: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -309.918517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.918517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.918517 (E_RNA) where: Base-Base interactions energy: -124.501 where: short stacking energy: -119.063 Base-Backbone interact. energy: 0.104 local terms energy: -185.521801 where: bonds (distance) C4'-P energy: -64.940 bonds (distance) P-C4' energy: -52.040 flat angles C4'-P-C4' energy: -43.821 flat angles P-C4'-P energy: -16.301 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: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -355.361193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.361193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.361193 (E_RNA) where: Base-Base interactions energy: -170.331 where: short stacking energy: -115.584 Base-Backbone interact. energy: 0.894 local terms energy: -185.924233 where: bonds (distance) C4'-P energy: -57.543 bonds (distance) P-C4' energy: -45.434 flat angles C4'-P-C4' energy: -49.708 flat angles P-C4'-P energy: -26.200 tors. eta vs tors. theta energy: -7.039 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: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1166.871321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.871321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.871321 (E_RNA) where: Base-Base interactions energy: -783.056 where: short stacking energy: -383.125 Base-Backbone interact. energy: 0.147 local terms energy: -383.961492 where: bonds (distance) C4'-P energy: -62.869 bonds (distance) P-C4' energy: -66.910 flat angles C4'-P-C4' energy: -87.279 flat angles P-C4'-P energy: -56.161 tors. eta vs tors. theta energy: -110.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1121.936087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.936087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.936087 (E_RNA) where: Base-Base interactions energy: -764.945 where: short stacking energy: -348.071 Base-Backbone interact. energy: -0.187 local terms energy: -356.804627 where: bonds (distance) C4'-P energy: -70.013 bonds (distance) P-C4' energy: -60.896 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -50.436 tors. eta vs tors. theta energy: -100.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1047.465455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.465455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.465455 (E_RNA) where: Base-Base interactions energy: -696.501 where: short stacking energy: -316.144 Base-Backbone interact. energy: -1.062 local terms energy: -349.902690 where: bonds (distance) C4'-P energy: -67.076 bonds (distance) P-C4' energy: -65.479 flat angles C4'-P-C4' energy: -82.544 flat angles P-C4'-P energy: -42.553 tors. eta vs tors. theta energy: -92.251 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: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1041.040438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.040438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.040438 (E_RNA) where: Base-Base interactions energy: -689.745 where: short stacking energy: -319.428 Base-Backbone interact. energy: -0.990 local terms energy: -350.305441 where: bonds (distance) C4'-P energy: -55.904 bonds (distance) P-C4' energy: -63.744 flat angles C4'-P-C4' energy: -76.965 flat angles P-C4'-P energy: -60.517 tors. eta vs tors. theta energy: -93.174 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: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1006.587162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.587162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.587162 (E_RNA) where: Base-Base interactions energy: -684.999 where: short stacking energy: -324.332 Base-Backbone interact. energy: -0.694 local terms energy: -320.894380 where: bonds (distance) C4'-P energy: -50.487 bonds (distance) P-C4' energy: -62.363 flat angles C4'-P-C4' energy: -67.047 flat angles P-C4'-P energy: -43.039 tors. eta vs tors. theta energy: -97.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -776.827185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.827185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.827185 (E_RNA) where: Base-Base interactions energy: -483.345 where: short stacking energy: -220.548 Base-Backbone interact. energy: -1.436 local terms energy: -292.046154 where: bonds (distance) C4'-P energy: -64.547 bonds (distance) P-C4' energy: -76.695 flat angles C4'-P-C4' energy: -67.402 flat angles P-C4'-P energy: -37.179 tors. eta vs tors. theta energy: -46.222 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: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -736.399423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.399423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.399423 (E_RNA) where: Base-Base interactions energy: -457.797 where: short stacking energy: -229.497 Base-Backbone interact. energy: 0.691 local terms energy: -279.293367 where: bonds (distance) C4'-P energy: -56.284 bonds (distance) P-C4' energy: -54.140 flat angles C4'-P-C4' energy: -71.016 flat angles P-C4'-P energy: -41.508 tors. eta vs tors. theta energy: -56.346 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: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -584.032580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.032580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.032580 (E_RNA) where: Base-Base interactions energy: -331.765 where: short stacking energy: -170.303 Base-Backbone interact. energy: -1.717 local terms energy: -250.550513 where: bonds (distance) C4'-P energy: -52.225 bonds (distance) P-C4' energy: -49.282 flat angles C4'-P-C4' energy: -61.121 flat angles P-C4'-P energy: -45.646 tors. eta vs tors. theta energy: -42.277 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: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -310.158752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.158752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.158752 (E_RNA) where: Base-Base interactions energy: -103.472 where: short stacking energy: -86.476 Base-Backbone interact. energy: 1.617 local terms energy: -208.303999 where: bonds (distance) C4'-P energy: -66.377 bonds (distance) P-C4' energy: -66.275 flat angles C4'-P-C4' energy: -51.601 flat angles P-C4'-P energy: -16.653 tors. eta vs tors. theta energy: -7.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -331.254712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.254712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.254712 (E_RNA) where: Base-Base interactions energy: -145.936 where: short stacking energy: -85.979 Base-Backbone interact. energy: -0.221 local terms energy: -185.097353 where: bonds (distance) C4'-P energy: -46.806 bonds (distance) P-C4' energy: -63.248 flat angles C4'-P-C4' energy: -45.169 flat angles P-C4'-P energy: -31.064 tors. eta vs tors. theta energy: 1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1155.000988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.000988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.000988 (E_RNA) where: Base-Base interactions energy: -781.668 where: short stacking energy: -370.120 Base-Backbone interact. energy: -1.485 local terms energy: -371.847605 where: bonds (distance) C4'-P energy: -67.003 bonds (distance) P-C4' energy: -66.691 flat angles C4'-P-C4' energy: -79.104 flat angles P-C4'-P energy: -54.449 tors. eta vs tors. theta energy: -104.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1144.742545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.742545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.742545 (E_RNA) where: Base-Base interactions energy: -781.906 where: short stacking energy: -348.570 Base-Backbone interact. energy: -1.447 local terms energy: -361.389427 where: bonds (distance) C4'-P energy: -66.655 bonds (distance) P-C4' energy: -61.959 flat angles C4'-P-C4' energy: -81.354 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -103.132 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: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1030.260322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.260322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.260322 (E_RNA) where: Base-Base interactions energy: -688.478 where: short stacking energy: -312.743 Base-Backbone interact. energy: -0.328 local terms energy: -341.454358 where: bonds (distance) C4'-P energy: -64.084 bonds (distance) P-C4' energy: -65.654 flat angles C4'-P-C4' energy: -78.306 flat angles P-C4'-P energy: -43.823 tors. eta vs tors. theta energy: -89.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1037.197982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.197982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.197982 (E_RNA) where: Base-Base interactions energy: -686.285 where: short stacking energy: -315.001 Base-Backbone interact. energy: -0.916 local terms energy: -349.996944 where: bonds (distance) C4'-P energy: -66.581 bonds (distance) P-C4' energy: -70.874 flat angles C4'-P-C4' energy: -74.083 flat angles P-C4'-P energy: -44.928 tors. eta vs tors. theta energy: -93.531 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: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -999.125441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.125441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.125441 (E_RNA) where: Base-Base interactions energy: -673.411 where: short stacking energy: -314.853 Base-Backbone interact. energy: 0.422 local terms energy: -326.136585 where: bonds (distance) C4'-P energy: -61.502 bonds (distance) P-C4' energy: -68.302 flat angles C4'-P-C4' energy: -62.943 flat angles P-C4'-P energy: -34.680 tors. eta vs tors. theta energy: -98.710 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: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -807.618910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.618910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.618910 (E_RNA) where: Base-Base interactions energy: -510.584 where: short stacking energy: -236.483 Base-Backbone interact. energy: -1.443 local terms energy: -295.591813 where: bonds (distance) C4'-P energy: -55.746 bonds (distance) P-C4' energy: -71.241 flat angles C4'-P-C4' energy: -64.915 flat angles P-C4'-P energy: -47.561 tors. eta vs tors. theta energy: -56.129 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: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -745.360364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.360364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.360364 (E_RNA) where: Base-Base interactions energy: -463.875 where: short stacking energy: -217.921 Base-Backbone interact. energy: 0.932 local terms energy: -282.417489 where: bonds (distance) C4'-P energy: -58.554 bonds (distance) P-C4' energy: -59.625 flat angles C4'-P-C4' energy: -56.868 flat angles P-C4'-P energy: -39.505 tors. eta vs tors. theta energy: -67.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -603.765304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.765304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.765304 (E_RNA) where: Base-Base interactions energy: -361.139 where: short stacking energy: -184.166 Base-Backbone interact. energy: 0.068 local terms energy: -242.694163 where: bonds (distance) C4'-P energy: -38.198 bonds (distance) P-C4' energy: -66.226 flat angles C4'-P-C4' energy: -55.967 flat angles P-C4'-P energy: -44.768 tors. eta vs tors. theta energy: -37.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -381.722585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.722585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.722585 (E_RNA) where: Base-Base interactions energy: -176.856 where: short stacking energy: -103.518 Base-Backbone interact. energy: -1.162 local terms energy: -203.704259 where: bonds (distance) C4'-P energy: -59.064 bonds (distance) P-C4' energy: -62.517 flat angles C4'-P-C4' energy: -57.745 flat angles P-C4'-P energy: -14.489 tors. eta vs tors. theta energy: -9.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -285.895081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.895081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.895081 (E_RNA) where: Base-Base interactions energy: -99.147 where: short stacking energy: -91.856 Base-Backbone interact. energy: -0.987 local terms energy: -185.760995 where: bonds (distance) C4'-P energy: -65.040 bonds (distance) P-C4' energy: -38.257 flat angles C4'-P-C4' energy: -46.235 flat angles P-C4'-P energy: -29.634 tors. eta vs tors. theta energy: -6.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1182.407006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.407006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.407006 (E_RNA) where: Base-Base interactions energy: -797.325 where: short stacking energy: -388.215 Base-Backbone interact. energy: -0.866 local terms energy: -384.215844 where: bonds (distance) C4'-P energy: -80.307 bonds (distance) P-C4' energy: -63.922 flat angles C4'-P-C4' energy: -68.646 flat angles P-C4'-P energy: -59.880 tors. eta vs tors. theta energy: -111.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1124.679195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.679195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.679195 (E_RNA) where: Base-Base interactions energy: -779.941 where: short stacking energy: -347.500 Base-Backbone interact. energy: -1.817 local terms energy: -342.921598 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -66.812 flat angles C4'-P-C4' energy: -72.228 flat angles P-C4'-P energy: -42.669 tors. eta vs tors. theta energy: -101.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1048.666207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.666207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.666207 (E_RNA) where: Base-Base interactions energy: -702.033 where: short stacking energy: -310.055 Base-Backbone interact. energy: -0.695 local terms energy: -345.937795 where: bonds (distance) C4'-P energy: -63.312 bonds (distance) P-C4' energy: -69.937 flat angles C4'-P-C4' energy: -70.144 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: -95.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1040.094847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.094847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.094847 (E_RNA) where: Base-Base interactions energy: -692.485 where: short stacking energy: -310.035 Base-Backbone interact. energy: -0.547 local terms energy: -347.063125 where: bonds (distance) C4'-P energy: -67.390 bonds (distance) P-C4' energy: -69.710 flat angles C4'-P-C4' energy: -72.848 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: -90.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -995.171615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.171615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.171615 (E_RNA) where: Base-Base interactions energy: -675.145 where: short stacking energy: -310.115 Base-Backbone interact. energy: -1.327 local terms energy: -318.699501 where: bonds (distance) C4'-P energy: -54.933 bonds (distance) P-C4' energy: -68.840 flat angles C4'-P-C4' energy: -67.571 flat angles P-C4'-P energy: -36.432 tors. eta vs tors. theta energy: -90.924 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: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -765.652303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.652303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.652303 (E_RNA) where: Base-Base interactions energy: -483.758 where: short stacking energy: -224.386 Base-Backbone interact. energy: -0.441 local terms energy: -281.453148 where: bonds (distance) C4'-P energy: -59.563 bonds (distance) P-C4' energy: -64.828 flat angles C4'-P-C4' energy: -62.673 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -48.249 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: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -676.270890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.270890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.270890 (E_RNA) where: Base-Base interactions energy: -419.934 where: short stacking energy: -184.432 Base-Backbone interact. energy: 2.593 local terms energy: -258.930680 where: bonds (distance) C4'-P energy: -66.635 bonds (distance) P-C4' energy: -57.810 flat angles C4'-P-C4' energy: -57.447 flat angles P-C4'-P energy: -38.189 tors. eta vs tors. theta energy: -38.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -615.351377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.351377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.351377 (E_RNA) where: Base-Base interactions energy: -362.584 where: short stacking energy: -189.949 Base-Backbone interact. energy: -1.097 local terms energy: -251.670043 where: bonds (distance) C4'-P energy: -64.440 bonds (distance) P-C4' energy: -64.877 flat angles C4'-P-C4' energy: -50.938 flat angles P-C4'-P energy: -36.294 tors. eta vs tors. theta energy: -35.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -393.685844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.685844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.685844 (E_RNA) where: Base-Base interactions energy: -192.874 where: short stacking energy: -129.583 Base-Backbone interact. energy: 7.340 local terms energy: -208.150996 where: bonds (distance) C4'-P energy: -54.157 bonds (distance) P-C4' energy: -67.227 flat angles C4'-P-C4' energy: -40.922 flat angles P-C4'-P energy: -30.272 tors. eta vs tors. theta energy: -15.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -295.696741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.696741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.696741 (E_RNA) where: Base-Base interactions energy: -134.594 where: short stacking energy: -73.292 Base-Backbone interact. energy: 5.737 local terms energy: -166.839566 where: bonds (distance) C4'-P energy: -53.999 bonds (distance) P-C4' energy: -47.418 flat angles C4'-P-C4' energy: -50.866 flat angles P-C4'-P energy: -29.746 tors. eta vs tors. theta energy: 15.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1155.633927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.633927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.633927 (E_RNA) where: Base-Base interactions energy: -783.884 where: short stacking energy: -371.073 Base-Backbone interact. energy: -0.990 local terms energy: -370.759616 where: bonds (distance) C4'-P energy: -72.527 bonds (distance) P-C4' energy: -61.445 flat angles C4'-P-C4' energy: -77.221 flat angles P-C4'-P energy: -50.064 tors. eta vs tors. theta energy: -109.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1125.096908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.096908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.096908 (E_RNA) where: Base-Base interactions energy: -768.954 where: short stacking energy: -361.369 Base-Backbone interact. energy: -1.297 local terms energy: -354.846566 where: bonds (distance) C4'-P energy: -69.081 bonds (distance) P-C4' energy: -70.016 flat angles C4'-P-C4' energy: -80.476 flat angles P-C4'-P energy: -42.758 tors. eta vs tors. theta energy: -92.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1036.961938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.961938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.961938 (E_RNA) where: Base-Base interactions energy: -683.147 where: short stacking energy: -315.256 Base-Backbone interact. energy: -0.744 local terms energy: -353.070614 where: bonds (distance) C4'-P energy: -73.456 bonds (distance) P-C4' energy: -65.612 flat angles C4'-P-C4' energy: -72.083 flat angles P-C4'-P energy: -46.359 tors. eta vs tors. theta energy: -95.560 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: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1019.091072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.091072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.091072 (E_RNA) where: Base-Base interactions energy: -683.020 where: short stacking energy: -310.060 Base-Backbone interact. energy: 0.501 local terms energy: -336.572793 where: bonds (distance) C4'-P energy: -64.289 bonds (distance) P-C4' energy: -68.754 flat angles C4'-P-C4' energy: -77.136 flat angles P-C4'-P energy: -40.172 tors. eta vs tors. theta energy: -86.223 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: 272 Temperature: 1.100000 Total energy: -999.406586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.406586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.406586 (E_RNA) where: Base-Base interactions energy: -656.920 where: short stacking energy: -300.126 Base-Backbone interact. energy: -0.999 local terms energy: -341.487261 where: bonds (distance) C4'-P energy: -64.836 bonds (distance) P-C4' energy: -78.550 flat angles C4'-P-C4' energy: -76.006 flat angles P-C4'-P energy: -37.189 tors. eta vs tors. theta energy: -84.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -787.251549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.251549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.251549 (E_RNA) where: Base-Base interactions energy: -496.043 where: short stacking energy: -245.830 Base-Backbone interact. energy: 1.228 local terms energy: -292.437022 where: bonds (distance) C4'-P energy: -66.766 bonds (distance) P-C4' energy: -53.834 flat angles C4'-P-C4' energy: -56.063 flat angles P-C4'-P energy: -46.146 tors. eta vs tors. theta energy: -69.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -676.062489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.062489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.062489 (E_RNA) where: Base-Base interactions energy: -416.545 where: short stacking energy: -201.875 Base-Backbone interact. energy: -0.615 local terms energy: -258.902698 where: bonds (distance) C4'-P energy: -68.161 bonds (distance) P-C4' energy: -54.316 flat angles C4'-P-C4' energy: -66.772 flat angles P-C4'-P energy: -29.054 tors. eta vs tors. theta energy: -40.599 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: 2 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -590.935203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.935203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.935203 (E_RNA) where: Base-Base interactions energy: -358.758 where: short stacking energy: -182.431 Base-Backbone interact. energy: -0.462 local terms energy: -231.715130 where: bonds (distance) C4'-P energy: -57.026 bonds (distance) P-C4' energy: -57.819 flat angles C4'-P-C4' energy: -51.865 flat angles P-C4'-P energy: -36.093 tors. eta vs tors. theta energy: -28.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -374.688368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.688368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.688368 (E_RNA) where: Base-Base interactions energy: -168.832 where: short stacking energy: -103.326 Base-Backbone interact. energy: 1.307 local terms energy: -207.163368 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -62.257 flat angles C4'-P-C4' energy: -46.789 flat angles P-C4'-P energy: -33.391 tors. eta vs tors. theta energy: 0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -299.649559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.649559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.649559 (E_RNA) where: Base-Base interactions energy: -124.063 where: short stacking energy: -78.649 Base-Backbone interact. energy: -1.929 local terms energy: -173.657569 where: bonds (distance) C4'-P energy: -54.671 bonds (distance) P-C4' energy: -64.219 flat angles C4'-P-C4' energy: -35.741 flat angles P-C4'-P energy: -32.079 tors. eta vs tors. theta energy: 13.054 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: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1172.517382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.517382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.517382 (E_RNA) where: Base-Base interactions energy: -784.524 where: short stacking energy: -372.342 Base-Backbone interact. energy: 0.810 local terms energy: -388.803469 where: bonds (distance) C4'-P energy: -75.222 bonds (distance) P-C4' energy: -76.529 flat angles C4'-P-C4' energy: -79.372 flat angles P-C4'-P energy: -51.204 tors. eta vs tors. theta energy: -106.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1119.431015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.431015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.431015 (E_RNA) where: Base-Base interactions energy: -749.999 where: short stacking energy: -345.414 Base-Backbone interact. energy: -1.942 local terms energy: -367.490196 where: bonds (distance) C4'-P energy: -67.653 bonds (distance) P-C4' energy: -75.931 flat angles C4'-P-C4' energy: -76.070 flat angles P-C4'-P energy: -52.756 tors. eta vs tors. theta energy: -95.081 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: 3, replica: 3 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1064.543722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.543722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.543722 (E_RNA) where: Base-Base interactions energy: -710.103 where: short stacking energy: -306.334 Base-Backbone interact. energy: -0.760 local terms energy: -353.680389 where: bonds (distance) C4'-P energy: -60.653 bonds (distance) P-C4' energy: -72.740 flat angles C4'-P-C4' energy: -74.390 flat angles P-C4'-P energy: -54.710 tors. eta vs tors. theta energy: -91.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1029.385194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.385194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.385194 (E_RNA) where: Base-Base interactions energy: -701.294 where: short stacking energy: -313.834 Base-Backbone interact. energy: -0.839 local terms energy: -327.251848 where: bonds (distance) C4'-P energy: -52.247 bonds (distance) P-C4' energy: -65.474 flat angles C4'-P-C4' energy: -74.368 flat angles P-C4'-P energy: -49.112 tors. eta vs tors. theta energy: -86.050 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: 273 Temperature: 1.100000 Total energy: -1020.347366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.347366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.347366 (E_RNA) where: Base-Base interactions energy: -676.147 where: short stacking energy: -313.783 Base-Backbone interact. energy: -0.110 local terms energy: -344.090469 where: bonds (distance) C4'-P energy: -60.711 bonds (distance) P-C4' energy: -69.226 flat angles C4'-P-C4' energy: -75.600 flat angles P-C4'-P energy: -50.618 tors. eta vs tors. theta energy: -87.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -756.068214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.068214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.068214 (E_RNA) where: Base-Base interactions energy: -482.263 where: short stacking energy: -242.468 Base-Backbone interact. energy: -0.186 local terms energy: -273.619556 where: bonds (distance) C4'-P energy: -60.545 bonds (distance) P-C4' energy: -65.325 flat angles C4'-P-C4' energy: -62.710 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: -45.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -745.821950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.821950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.821950 (E_RNA) where: Base-Base interactions energy: -476.137 where: short stacking energy: -231.151 Base-Backbone interact. energy: -0.775 local terms energy: -268.909538 where: bonds (distance) C4'-P energy: -60.792 bonds (distance) P-C4' energy: -56.567 flat angles C4'-P-C4' energy: -59.492 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -49.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -575.898640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.898640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.898640 (E_RNA) where: Base-Base interactions energy: -374.084 where: short stacking energy: -170.334 Base-Backbone interact. energy: 0.082 local terms energy: -201.897463 where: bonds (distance) C4'-P energy: -57.573 bonds (distance) P-C4' energy: -49.632 flat angles C4'-P-C4' energy: -37.573 flat angles P-C4'-P energy: -35.295 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: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -362.805197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.805197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.805197 (E_RNA) where: Base-Base interactions energy: -175.942 where: short stacking energy: -124.021 Base-Backbone interact. energy: -1.860 local terms energy: -185.003035 where: bonds (distance) C4'-P energy: -59.572 bonds (distance) P-C4' energy: -50.155 flat angles C4'-P-C4' energy: -48.435 flat angles P-C4'-P energy: -28.074 tors. eta vs tors. theta energy: 1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -282.912272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.912272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.912272 (E_RNA) where: Base-Base interactions energy: -94.354 where: short stacking energy: -77.791 Base-Backbone interact. energy: 3.384 local terms energy: -191.942776 where: bonds (distance) C4'-P energy: -66.874 bonds (distance) P-C4' energy: -58.449 flat angles C4'-P-C4' energy: -44.973 flat angles P-C4'-P energy: -31.247 tors. eta vs tors. theta energy: 9.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1144.081006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.081006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.081006 (E_RNA) where: Base-Base interactions energy: -779.614 where: short stacking energy: -334.994 Base-Backbone interact. energy: -1.568 local terms energy: -362.898823 where: bonds (distance) C4'-P energy: -67.366 bonds (distance) P-C4' energy: -69.495 flat angles C4'-P-C4' energy: -79.085 flat angles P-C4'-P energy: -51.161 tors. eta vs tors. theta energy: -95.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1146.682957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.682957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.682957 (E_RNA) where: Base-Base interactions energy: -760.045 where: short stacking energy: -370.572 Base-Backbone interact. energy: 2.443 local terms energy: -389.081393 where: bonds (distance) C4'-P energy: -75.165 bonds (distance) P-C4' energy: -74.540 flat angles C4'-P-C4' energy: -75.930 flat angles P-C4'-P energy: -56.235 tors. eta vs tors. theta energy: -107.212 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: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1073.167562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.167562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.167562 (E_RNA) where: Base-Base interactions energy: -729.753 where: short stacking energy: -327.860 Base-Backbone interact. energy: -1.036 local terms energy: -342.379179 where: bonds (distance) C4'-P energy: -53.066 bonds (distance) P-C4' energy: -63.096 flat angles C4'-P-C4' energy: -79.624 flat angles P-C4'-P energy: -42.849 tors. eta vs tors. theta energy: -103.745 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: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1005.764569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.764569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.764569 (E_RNA) where: Base-Base interactions energy: -662.856 where: short stacking energy: -308.426 Base-Backbone interact. energy: -1.118 local terms energy: -341.790343 where: bonds (distance) C4'-P energy: -62.467 bonds (distance) P-C4' energy: -64.552 flat angles C4'-P-C4' energy: -70.773 flat angles P-C4'-P energy: -48.962 tors. eta vs tors. theta energy: -95.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -994.755031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.755031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.755031 (E_RNA) where: Base-Base interactions energy: -652.769 where: short stacking energy: -320.633 Base-Backbone interact. energy: -0.968 local terms energy: -341.017652 where: bonds (distance) C4'-P energy: -64.462 bonds (distance) P-C4' energy: -61.481 flat angles C4'-P-C4' energy: -74.343 flat angles P-C4'-P energy: -51.559 tors. eta vs tors. theta energy: -89.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -762.591309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.591309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.591309 (E_RNA) where: Base-Base interactions energy: -489.273 where: short stacking energy: -224.804 Base-Backbone interact. energy: 0.233 local terms energy: -273.551037 where: bonds (distance) C4'-P energy: -62.820 bonds (distance) P-C4' energy: -71.656 flat angles C4'-P-C4' energy: -60.885 flat angles P-C4'-P energy: -24.712 tors. eta vs tors. theta energy: -53.479 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: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -782.307153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.307153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.307153 (E_RNA) where: Base-Base interactions energy: -507.220 where: short stacking energy: -235.933 Base-Backbone interact. energy: -0.042 local terms energy: -275.045639 where: bonds (distance) C4'-P energy: -51.646 bonds (distance) P-C4' energy: -58.970 flat angles C4'-P-C4' energy: -63.464 flat angles P-C4'-P energy: -41.032 tors. eta vs tors. theta energy: -59.933 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: 2 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -562.632905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.632905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.632905 (E_RNA) where: Base-Base interactions energy: -326.201 where: short stacking energy: -163.042 Base-Backbone interact. energy: 1.347 local terms energy: -237.778827 where: bonds (distance) C4'-P energy: -55.058 bonds (distance) P-C4' energy: -57.217 flat angles C4'-P-C4' energy: -61.624 flat angles P-C4'-P energy: -36.636 tors. eta vs tors. theta energy: -27.243 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: 274 Temperature: 1.300000 Total energy: -353.430529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.430529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.430529 (E_RNA) where: Base-Base interactions energy: -160.072 where: short stacking energy: -116.905 Base-Backbone interact. energy: 0.085 local terms energy: -193.443751 where: bonds (distance) C4'-P energy: -50.302 bonds (distance) P-C4' energy: -69.522 flat angles C4'-P-C4' energy: -39.230 flat angles P-C4'-P energy: -18.677 tors. eta vs tors. theta energy: -15.712 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: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -267.430943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.430943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.430943 (E_RNA) where: Base-Base interactions energy: -96.173 where: short stacking energy: -84.376 Base-Backbone interact. energy: 0.305 local terms energy: -171.563185 where: bonds (distance) C4'-P energy: -55.581 bonds (distance) P-C4' energy: -57.368 flat angles C4'-P-C4' energy: -44.250 flat angles P-C4'-P energy: -22.746 tors. eta vs tors. theta energy: 8.382 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: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1165.660952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.660952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.660952 (E_RNA) where: Base-Base interactions energy: -804.658 where: short stacking energy: -357.966 Base-Backbone interact. energy: -2.334 local terms energy: -358.669150 where: bonds (distance) C4'-P energy: -64.011 bonds (distance) P-C4' energy: -65.000 flat angles C4'-P-C4' energy: -74.914 flat angles P-C4'-P energy: -58.219 tors. eta vs tors. theta energy: -96.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1146.810608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.810608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.810608 (E_RNA) where: Base-Base interactions energy: -774.516 where: short stacking energy: -374.002 Base-Backbone interact. energy: -0.724 local terms energy: -371.571063 where: bonds (distance) C4'-P energy: -71.429 bonds (distance) P-C4' energy: -65.157 flat angles C4'-P-C4' energy: -75.978 flat angles P-C4'-P energy: -48.979 tors. eta vs tors. theta energy: -110.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1060.414503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.414503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.414503 (E_RNA) where: Base-Base interactions energy: -693.511 where: short stacking energy: -319.629 Base-Backbone interact. energy: -0.797 local terms energy: -366.106949 where: bonds (distance) C4'-P energy: -60.010 bonds (distance) P-C4' energy: -71.303 flat angles C4'-P-C4' energy: -83.981 flat angles P-C4'-P energy: -52.022 tors. eta vs tors. theta energy: -98.791 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: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1022.878773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.878773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.878773 (E_RNA) where: Base-Base interactions energy: -692.074 where: short stacking energy: -300.275 Base-Backbone interact. energy: -1.221 local terms energy: -329.583678 where: bonds (distance) C4'-P energy: -63.722 bonds (distance) P-C4' energy: -62.269 flat angles C4'-P-C4' energy: -72.203 flat angles P-C4'-P energy: -48.872 tors. eta vs tors. theta energy: -82.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -953.122970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.122970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.122970 (E_RNA) where: Base-Base interactions energy: -621.005 where: short stacking energy: -298.190 Base-Backbone interact. energy: 1.195 local terms energy: -333.312975 where: bonds (distance) C4'-P energy: -56.778 bonds (distance) P-C4' energy: -67.947 flat angles C4'-P-C4' energy: -73.373 flat angles P-C4'-P energy: -52.242 tors. eta vs tors. theta energy: -82.974 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: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -761.415242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.415242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.415242 (E_RNA) where: Base-Base interactions energy: -475.034 where: short stacking energy: -241.967 Base-Backbone interact. energy: -0.587 local terms energy: -285.793735 where: bonds (distance) C4'-P energy: -68.023 bonds (distance) P-C4' energy: -68.402 flat angles C4'-P-C4' energy: -60.082 flat angles P-C4'-P energy: -35.308 tors. eta vs tors. theta energy: -53.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -811.247023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.247023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.247023 (E_RNA) where: Base-Base interactions energy: -519.354 where: short stacking energy: -253.939 Base-Backbone interact. energy: -0.663 local terms energy: -291.229889 where: bonds (distance) C4'-P energy: -61.398 bonds (distance) P-C4' energy: -55.200 flat angles C4'-P-C4' energy: -66.652 flat angles P-C4'-P energy: -44.870 tors. eta vs tors. theta energy: -63.110 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: 2 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -532.919479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.919479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.919479 (E_RNA) where: Base-Base interactions energy: -289.299 where: short stacking energy: -155.345 Base-Backbone interact. energy: -0.834 local terms energy: -242.786718 where: bonds (distance) C4'-P energy: -63.858 bonds (distance) P-C4' energy: -62.375 flat angles C4'-P-C4' energy: -51.773 flat angles P-C4'-P energy: -35.948 tors. eta vs tors. theta energy: -28.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -361.005795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.005795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.005795 (E_RNA) where: Base-Base interactions energy: -134.800 where: short stacking energy: -90.705 Base-Backbone interact. energy: -0.943 local terms energy: -225.262722 where: bonds (distance) C4'-P energy: -61.972 bonds (distance) P-C4' energy: -68.507 flat angles C4'-P-C4' energy: -65.391 flat angles P-C4'-P energy: -33.583 tors. eta vs tors. theta energy: 4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -297.490223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.490223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.490223 (E_RNA) where: Base-Base interactions energy: -104.258 where: short stacking energy: -74.301 Base-Backbone interact. energy: -1.937 local terms energy: -191.295055 where: bonds (distance) C4'-P energy: -66.660 bonds (distance) P-C4' energy: -46.361 flat angles C4'-P-C4' energy: -61.316 flat angles P-C4'-P energy: -32.412 tors. eta vs tors. theta energy: 15.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1183.383747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.383747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.383747 (E_RNA) where: Base-Base interactions energy: -802.266 where: short stacking energy: -377.698 Base-Backbone interact. energy: -0.468 local terms energy: -380.649768 where: bonds (distance) C4'-P energy: -70.563 bonds (distance) P-C4' energy: -69.428 flat angles C4'-P-C4' energy: -76.826 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -110.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1167.398321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.398321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.398321 (E_RNA) where: Base-Base interactions energy: -776.889 where: short stacking energy: -365.157 Base-Backbone interact. energy: -1.233 local terms energy: -389.276322 where: bonds (distance) C4'-P energy: -73.777 bonds (distance) P-C4' energy: -79.005 flat angles C4'-P-C4' energy: -81.443 flat angles P-C4'-P energy: -45.568 tors. eta vs tors. theta energy: -109.484 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: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1040.584039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.584039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.584039 (E_RNA) where: Base-Base interactions energy: -704.126 where: short stacking energy: -337.354 Base-Backbone interact. energy: -0.636 local terms energy: -335.821650 where: bonds (distance) C4'-P energy: -61.877 bonds (distance) P-C4' energy: -58.108 flat angles C4'-P-C4' energy: -75.118 flat angles P-C4'-P energy: -48.330 tors. eta vs tors. theta energy: -92.389 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: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1044.107709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.107709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.107709 (E_RNA) where: Base-Base interactions energy: -706.025 where: short stacking energy: -314.438 Base-Backbone interact. energy: -1.551 local terms energy: -336.532080 where: bonds (distance) C4'-P energy: -63.961 bonds (distance) P-C4' energy: -64.734 flat angles C4'-P-C4' energy: -63.610 flat angles P-C4'-P energy: -46.064 tors. eta vs tors. theta energy: -98.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -954.586320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.586320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.586320 (E_RNA) where: Base-Base interactions energy: -632.488 where: short stacking energy: -310.251 Base-Backbone interact. energy: -1.723 local terms energy: -320.375564 where: bonds (distance) C4'-P energy: -52.677 bonds (distance) P-C4' energy: -55.514 flat angles C4'-P-C4' energy: -63.894 flat angles P-C4'-P energy: -54.220 tors. eta vs tors. theta energy: -94.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -768.497452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.497452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.497452 (E_RNA) where: Base-Base interactions energy: -482.843 where: short stacking energy: -254.099 Base-Backbone interact. energy: -0.029 local terms energy: -285.625873 where: bonds (distance) C4'-P energy: -66.238 bonds (distance) P-C4' energy: -68.423 flat angles C4'-P-C4' energy: -49.361 flat angles P-C4'-P energy: -46.441 tors. eta vs tors. theta energy: -55.164 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: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -749.707913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.707913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.707913 (E_RNA) where: Base-Base interactions energy: -472.877 where: short stacking energy: -227.066 Base-Backbone interact. energy: -0.862 local terms energy: -275.968615 where: bonds (distance) C4'-P energy: -46.953 bonds (distance) P-C4' energy: -66.696 flat angles C4'-P-C4' energy: -69.202 flat angles P-C4'-P energy: -44.049 tors. eta vs tors. theta energy: -49.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -553.396694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.396694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.396694 (E_RNA) where: Base-Base interactions energy: -307.613 where: short stacking energy: -163.308 Base-Backbone interact. energy: -0.174 local terms energy: -245.610381 where: bonds (distance) C4'-P energy: -68.015 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -49.647 flat angles P-C4'-P energy: -38.414 tors. eta vs tors. theta energy: -31.643 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: 9, replica: 10 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -311.891032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.891032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.891032 (E_RNA) where: Base-Base interactions energy: -139.655 where: short stacking energy: -93.733 Base-Backbone interact. energy: 1.969 local terms energy: -174.204630 where: bonds (distance) C4'-P energy: -53.816 bonds (distance) P-C4' energy: -71.253 flat angles C4'-P-C4' energy: -46.819 flat angles P-C4'-P energy: -22.618 tors. eta vs tors. theta energy: 20.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -323.193607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.193607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.193607 (E_RNA) where: Base-Base interactions energy: -123.096 where: short stacking energy: -113.712 Base-Backbone interact. energy: 5.832 local terms energy: -205.929676 where: bonds (distance) C4'-P energy: -53.981 bonds (distance) P-C4' energy: -63.991 flat angles C4'-P-C4' energy: -48.801 flat angles P-C4'-P energy: -36.989 tors. eta vs tors. theta energy: -2.167 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: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1177.070127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.070127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.070127 (E_RNA) where: Base-Base interactions energy: -795.392 where: short stacking energy: -373.539 Base-Backbone interact. energy: -1.576 local terms energy: -380.102162 where: bonds (distance) C4'-P energy: -76.737 bonds (distance) P-C4' energy: -69.897 flat angles C4'-P-C4' energy: -73.374 flat angles P-C4'-P energy: -50.855 tors. eta vs tors. theta energy: -109.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1154.897580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.897580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.897580 (E_RNA) where: Base-Base interactions energy: -766.519 where: short stacking energy: -375.074 Base-Backbone interact. energy: 0.013 local terms energy: -388.390854 where: bonds (distance) C4'-P energy: -70.731 bonds (distance) P-C4' energy: -68.865 flat angles C4'-P-C4' energy: -84.701 flat angles P-C4'-P energy: -50.790 tors. eta vs tors. theta energy: -113.304 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: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -989.239889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.239889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.239889 (E_RNA) where: Base-Base interactions energy: -665.396 where: short stacking energy: -311.206 Base-Backbone interact. energy: -0.682 local terms energy: -323.162315 where: bonds (distance) C4'-P energy: -56.751 bonds (distance) P-C4' energy: -65.620 flat angles C4'-P-C4' energy: -68.036 flat angles P-C4'-P energy: -48.259 tors. eta vs tors. theta energy: -84.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1010.605134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.605134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.605134 (E_RNA) where: Base-Base interactions energy: -686.860 where: short stacking energy: -318.087 Base-Backbone interact. energy: 3.949 local terms energy: -327.693292 where: bonds (distance) C4'-P energy: -55.310 bonds (distance) P-C4' energy: -57.590 flat angles C4'-P-C4' energy: -79.032 flat angles P-C4'-P energy: -51.038 tors. eta vs tors. theta energy: -84.723 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: 5, replica: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1003.121241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.121241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.121241 (E_RNA) where: Base-Base interactions energy: -659.249 where: short stacking energy: -342.953 Base-Backbone interact. energy: -0.211 local terms energy: -343.661283 where: bonds (distance) C4'-P energy: -49.066 bonds (distance) P-C4' energy: -54.652 flat angles C4'-P-C4' energy: -77.524 flat angles P-C4'-P energy: -58.460 tors. eta vs tors. theta energy: -103.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -778.924788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.924788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.924788 (E_RNA) where: Base-Base interactions energy: -492.153 where: short stacking energy: -241.810 Base-Backbone interact. energy: 1.459 local terms energy: -288.231450 where: bonds (distance) C4'-P energy: -50.526 bonds (distance) P-C4' energy: -58.934 flat angles C4'-P-C4' energy: -71.529 flat angles P-C4'-P energy: -46.438 tors. eta vs tors. theta energy: -60.804 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: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -722.072705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.072705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.072705 (E_RNA) where: Base-Base interactions energy: -448.115 where: short stacking energy: -205.772 Base-Backbone interact. energy: -2.306 local terms energy: -271.651292 where: bonds (distance) C4'-P energy: -59.986 bonds (distance) P-C4' energy: -61.216 flat angles C4'-P-C4' energy: -63.189 flat angles P-C4'-P energy: -37.757 tors. eta vs tors. theta energy: -49.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -601.454511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.454511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.454511 (E_RNA) where: Base-Base interactions energy: -361.746 where: short stacking energy: -195.147 Base-Backbone interact. energy: -0.653 local terms energy: -239.055432 where: bonds (distance) C4'-P energy: -48.606 bonds (distance) P-C4' energy: -61.948 flat angles C4'-P-C4' energy: -49.483 flat angles P-C4'-P energy: -39.004 tors. eta vs tors. theta energy: -40.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -311.316791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.316791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.316791 (E_RNA) where: Base-Base interactions energy: -96.703 where: short stacking energy: -90.228 Base-Backbone interact. energy: 1.912 local terms energy: -216.526325 where: bonds (distance) C4'-P energy: -55.320 bonds (distance) P-C4' energy: -62.882 flat angles C4'-P-C4' energy: -67.190 flat angles P-C4'-P energy: -37.532 tors. eta vs tors. theta energy: 6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -295.938396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.938396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.938396 (E_RNA) where: Base-Base interactions energy: -111.296 where: short stacking energy: -102.277 Base-Backbone interact. energy: -0.330 local terms energy: -184.312025 where: bonds (distance) C4'-P energy: -53.276 bonds (distance) P-C4' energy: -52.518 flat angles C4'-P-C4' energy: -53.159 flat angles P-C4'-P energy: -32.590 tors. eta vs tors. theta energy: 7.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1203.591734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.591734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.591734 (E_RNA) where: Base-Base interactions energy: -801.948 where: short stacking energy: -380.863 Base-Backbone interact. energy: -1.705 local terms energy: -399.938459 where: bonds (distance) C4'-P energy: -71.004 bonds (distance) P-C4' energy: -80.753 flat angles C4'-P-C4' energy: -88.009 flat angles P-C4'-P energy: -49.797 tors. eta vs tors. theta energy: -110.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1144.494640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.494640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.494640 (E_RNA) where: Base-Base interactions energy: -777.800 where: short stacking energy: -338.493 Base-Backbone interact. energy: -2.419 local terms energy: -364.274799 where: bonds (distance) C4'-P energy: -77.465 bonds (distance) P-C4' energy: -58.889 flat angles C4'-P-C4' energy: -70.138 flat angles P-C4'-P energy: -54.713 tors. eta vs tors. theta energy: -103.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1014.837797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.837797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.837797 (E_RNA) where: Base-Base interactions energy: -679.665 where: short stacking energy: -319.032 Base-Backbone interact. energy: -0.593 local terms energy: -334.579474 where: bonds (distance) C4'-P energy: -67.629 bonds (distance) P-C4' energy: -54.224 flat angles C4'-P-C4' energy: -74.553 flat angles P-C4'-P energy: -43.447 tors. eta vs tors. theta energy: -94.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1003.631458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.631458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.631458 (E_RNA) where: Base-Base interactions energy: -668.719 where: short stacking energy: -297.790 Base-Backbone interact. energy: -1.366 local terms energy: -333.546562 where: bonds (distance) C4'-P energy: -60.594 bonds (distance) P-C4' energy: -72.848 flat angles C4'-P-C4' energy: -73.421 flat angles P-C4'-P energy: -41.287 tors. eta vs tors. theta energy: -85.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -960.463474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.463474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.463474 (E_RNA) where: Base-Base interactions energy: -642.099 where: short stacking energy: -322.603 Base-Backbone interact. energy: -0.330 local terms energy: -318.034371 where: bonds (distance) C4'-P energy: -57.608 bonds (distance) P-C4' energy: -60.233 flat angles C4'-P-C4' energy: -69.336 flat angles P-C4'-P energy: -48.524 tors. eta vs tors. theta energy: -82.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -779.474500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.474500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.474500 (E_RNA) where: Base-Base interactions energy: -509.617 where: short stacking energy: -220.181 Base-Backbone interact. energy: 0.294 local terms energy: -270.151360 where: bonds (distance) C4'-P energy: -63.320 bonds (distance) P-C4' energy: -65.499 flat angles C4'-P-C4' energy: -62.348 flat angles P-C4'-P energy: -39.047 tors. eta vs tors. theta energy: -39.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -716.793339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.793339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.793339 (E_RNA) where: Base-Base interactions energy: -457.163 where: short stacking energy: -217.814 Base-Backbone interact. energy: 0.554 local terms energy: -260.184281 where: bonds (distance) C4'-P energy: -53.054 bonds (distance) P-C4' energy: -59.348 flat angles C4'-P-C4' energy: -57.907 flat angles P-C4'-P energy: -43.635 tors. eta vs tors. theta energy: -46.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -572.491157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.491157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.491157 (E_RNA) where: Base-Base interactions energy: -336.662 where: short stacking energy: -157.249 Base-Backbone interact. energy: 0.431 local terms energy: -236.260065 where: bonds (distance) C4'-P energy: -58.952 bonds (distance) P-C4' energy: -46.795 flat angles C4'-P-C4' energy: -61.715 flat angles P-C4'-P energy: -38.624 tors. eta vs tors. theta energy: -30.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -298.943892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.943892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.943892 (E_RNA) where: Base-Base interactions energy: -109.954 where: short stacking energy: -95.270 Base-Backbone interact. energy: -1.062 local terms energy: -187.928539 where: bonds (distance) C4'-P energy: -62.834 bonds (distance) P-C4' energy: -55.028 flat angles C4'-P-C4' energy: -45.622 flat angles P-C4'-P energy: -38.346 tors. eta vs tors. theta energy: 13.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -315.730477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.730477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.730477 (E_RNA) where: Base-Base interactions energy: -125.199 where: short stacking energy: -92.068 Base-Backbone interact. energy: 0.281 local terms energy: -190.811979 where: bonds (distance) C4'-P energy: -46.461 bonds (distance) P-C4' energy: -51.982 flat angles C4'-P-C4' energy: -45.388 flat angles P-C4'-P energy: -43.474 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1179.637693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.637693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.637693 (E_RNA) where: Base-Base interactions energy: -797.095 where: short stacking energy: -377.769 Base-Backbone interact. energy: -1.837 local terms energy: -380.705533 where: bonds (distance) C4'-P energy: -69.511 bonds (distance) P-C4' energy: -62.744 flat angles C4'-P-C4' energy: -79.491 flat angles P-C4'-P energy: -53.352 tors. eta vs tors. theta energy: -115.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1136.748334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.748334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.748334 (E_RNA) where: Base-Base interactions energy: -775.433 where: short stacking energy: -349.755 Base-Backbone interact. energy: -0.506 local terms energy: -360.810285 where: bonds (distance) C4'-P energy: -61.014 bonds (distance) P-C4' energy: -69.062 flat angles C4'-P-C4' energy: -69.280 flat angles P-C4'-P energy: -53.668 tors. eta vs tors. theta energy: -107.786 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: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1033.559523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.559523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.559523 (E_RNA) where: Base-Base interactions energy: -673.293 where: short stacking energy: -318.970 Base-Backbone interact. energy: -1.172 local terms energy: -359.094498 where: bonds (distance) C4'-P energy: -65.383 bonds (distance) P-C4' energy: -71.995 flat angles C4'-P-C4' energy: -71.836 flat angles P-C4'-P energy: -49.632 tors. eta vs tors. theta energy: -100.248 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: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -955.628610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.628610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.628610 (E_RNA) where: Base-Base interactions energy: -632.667 where: short stacking energy: -295.339 Base-Backbone interact. energy: -1.195 local terms energy: -321.766230 where: bonds (distance) C4'-P energy: -54.466 bonds (distance) P-C4' energy: -69.281 flat angles C4'-P-C4' energy: -82.241 flat angles P-C4'-P energy: -34.503 tors. eta vs tors. theta energy: -81.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -968.834456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.834456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.834456 (E_RNA) where: Base-Base interactions energy: -646.615 where: short stacking energy: -314.550 Base-Backbone interact. energy: 0.366 local terms energy: -322.585466 where: bonds (distance) C4'-P energy: -59.708 bonds (distance) P-C4' energy: -62.516 flat angles C4'-P-C4' energy: -74.410 flat angles P-C4'-P energy: -39.611 tors. eta vs tors. theta energy: -86.340 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: 6, replica: 9 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -784.926916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.926916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.926916 (E_RNA) where: Base-Base interactions energy: -489.034 where: short stacking energy: -226.837 Base-Backbone interact. energy: 2.478 local terms energy: -298.371219 where: bonds (distance) C4'-P energy: -60.013 bonds (distance) P-C4' energy: -60.304 flat angles C4'-P-C4' energy: -63.077 flat angles P-C4'-P energy: -52.203 tors. eta vs tors. theta energy: -62.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -740.373718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.373718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.373718 (E_RNA) where: Base-Base interactions energy: -467.241 where: short stacking energy: -218.970 Base-Backbone interact. energy: -0.570 local terms energy: -272.563519 where: bonds (distance) C4'-P energy: -57.529 bonds (distance) P-C4' energy: -66.216 flat angles C4'-P-C4' energy: -57.851 flat angles P-C4'-P energy: -36.628 tors. eta vs tors. theta energy: -54.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -606.414390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.414390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.414390 (E_RNA) where: Base-Base interactions energy: -358.128 where: short stacking energy: -173.303 Base-Backbone interact. energy: -2.850 local terms energy: -245.435850 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -55.451 flat angles C4'-P-C4' energy: -65.134 flat angles P-C4'-P energy: -26.944 tors. eta vs tors. theta energy: -40.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -301.662030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.662030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.662030 (E_RNA) where: Base-Base interactions energy: -103.969 where: short stacking energy: -93.684 Base-Backbone interact. energy: 0.994 local terms energy: -198.686851 where: bonds (distance) C4'-P energy: -59.259 bonds (distance) P-C4' energy: -58.786 flat angles C4'-P-C4' energy: -47.106 flat angles P-C4'-P energy: -31.033 tors. eta vs tors. theta energy: -2.502 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: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -282.450853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.450853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.450853 (E_RNA) where: Base-Base interactions energy: -106.343 where: short stacking energy: -79.726 Base-Backbone interact. energy: -0.759 local terms energy: -175.349150 where: bonds (distance) C4'-P energy: -60.896 bonds (distance) P-C4' energy: -49.705 flat angles C4'-P-C4' energy: -51.461 flat angles P-C4'-P energy: -27.941 tors. eta vs tors. theta energy: 14.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1174.093608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.093608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.093608 (E_RNA) where: Base-Base interactions energy: -803.038 where: short stacking energy: -380.764 Base-Backbone interact. energy: -1.356 local terms energy: -369.699315 where: bonds (distance) C4'-P energy: -67.717 bonds (distance) P-C4' energy: -69.412 flat angles C4'-P-C4' energy: -75.870 flat angles P-C4'-P energy: -54.126 tors. eta vs tors. theta energy: -102.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1137.711609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.711609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.711609 (E_RNA) where: Base-Base interactions energy: -760.937 where: short stacking energy: -358.385 Base-Backbone interact. energy: -1.872 local terms energy: -374.902973 where: bonds (distance) C4'-P energy: -66.838 bonds (distance) P-C4' energy: -77.891 flat angles C4'-P-C4' energy: -74.331 flat angles P-C4'-P energy: -53.511 tors. eta vs tors. theta energy: -102.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1024.833487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.833487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.833487 (E_RNA) where: Base-Base interactions energy: -660.159 where: short stacking energy: -312.919 Base-Backbone interact. energy: -1.940 local terms energy: -362.735274 where: bonds (distance) C4'-P energy: -63.201 bonds (distance) P-C4' energy: -74.678 flat angles C4'-P-C4' energy: -80.879 flat angles P-C4'-P energy: -50.429 tors. eta vs tors. theta energy: -93.548 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: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -997.220670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.220670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.220670 (E_RNA) where: Base-Base interactions energy: -669.949 where: short stacking energy: -318.499 Base-Backbone interact. energy: -0.646 local terms energy: -326.625110 where: bonds (distance) C4'-P energy: -52.164 bonds (distance) P-C4' energy: -60.706 flat angles C4'-P-C4' energy: -75.550 flat angles P-C4'-P energy: -45.606 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: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -949.685676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.685676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.685676 (E_RNA) where: Base-Base interactions energy: -642.555 where: short stacking energy: -290.442 Base-Backbone interact. energy: -0.783 local terms energy: -306.346834 where: bonds (distance) C4'-P energy: -53.555 bonds (distance) P-C4' energy: -53.552 flat angles C4'-P-C4' energy: -65.134 flat angles P-C4'-P energy: -51.066 tors. eta vs tors. theta energy: -83.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -821.921026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.921026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.921026 (E_RNA) where: Base-Base interactions energy: -537.051 where: short stacking energy: -248.901 Base-Backbone interact. energy: -1.309 local terms energy: -283.561621 where: bonds (distance) C4'-P energy: -47.580 bonds (distance) P-C4' energy: -60.127 flat angles C4'-P-C4' energy: -63.220 flat angles P-C4'-P energy: -45.822 tors. eta vs tors. theta energy: -66.812 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: 280 Temperature: 1.200000 Total energy: -751.485688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.485688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.485688 (E_RNA) where: Base-Base interactions energy: -478.554 where: short stacking energy: -224.931 Base-Backbone interact. energy: -0.636 local terms energy: -272.296238 where: bonds (distance) C4'-P energy: -58.327 bonds (distance) P-C4' energy: -65.438 flat angles C4'-P-C4' energy: -57.792 flat angles P-C4'-P energy: -33.761 tors. eta vs tors. theta energy: -56.978 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: 2 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -639.876942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.876942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.876942 (E_RNA) where: Base-Base interactions energy: -386.517 where: short stacking energy: -187.001 Base-Backbone interact. energy: 2.913 local terms energy: -256.272982 where: bonds (distance) C4'-P energy: -55.517 bonds (distance) P-C4' energy: -47.550 flat angles C4'-P-C4' energy: -61.350 flat angles P-C4'-P energy: -46.145 tors. eta vs tors. theta energy: -45.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -314.377631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.377631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.377631 (E_RNA) where: Base-Base interactions energy: -107.852 where: short stacking energy: -72.953 Base-Backbone interact. energy: -0.962 local terms energy: -205.564233 where: bonds (distance) C4'-P energy: -63.497 bonds (distance) P-C4' energy: -69.622 flat angles C4'-P-C4' energy: -56.568 flat angles P-C4'-P energy: -26.489 tors. eta vs tors. theta energy: 10.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -369.664809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.664809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.664809 (E_RNA) where: Base-Base interactions energy: -185.326 where: short stacking energy: -103.272 Base-Backbone interact. energy: -0.798 local terms energy: -183.541017 where: bonds (distance) C4'-P energy: -51.981 bonds (distance) P-C4' energy: -57.349 flat angles C4'-P-C4' energy: -46.571 flat angles P-C4'-P energy: -33.479 tors. eta vs tors. theta energy: 5.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1178.134729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.134729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.134729 (E_RNA) where: Base-Base interactions energy: -803.650 where: short stacking energy: -379.624 Base-Backbone interact. energy: 3.544 local terms energy: -378.027991 where: bonds (distance) C4'-P energy: -67.052 bonds (distance) P-C4' energy: -70.686 flat angles C4'-P-C4' energy: -85.005 flat angles P-C4'-P energy: -45.304 tors. eta vs tors. theta energy: -109.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1153.440524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.440524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.440524 (E_RNA) where: Base-Base interactions energy: -778.299 where: short stacking energy: -373.457 Base-Backbone interact. energy: -1.498 local terms energy: -373.644377 where: bonds (distance) C4'-P energy: -66.807 bonds (distance) P-C4' energy: -72.506 flat angles C4'-P-C4' energy: -75.366 flat angles P-C4'-P energy: -54.260 tors. eta vs tors. theta energy: -104.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1025.128723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.128723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.128723 (E_RNA) where: Base-Base interactions energy: -668.561 where: short stacking energy: -335.661 Base-Backbone interact. energy: 2.738 local terms energy: -359.306269 where: bonds (distance) C4'-P energy: -69.203 bonds (distance) P-C4' energy: -71.147 flat angles C4'-P-C4' energy: -74.699 flat angles P-C4'-P energy: -52.160 tors. eta vs tors. theta energy: -92.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -991.858771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.858771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.858771 (E_RNA) where: Base-Base interactions energy: -651.635 where: short stacking energy: -310.969 Base-Backbone interact. energy: 0.077 local terms energy: -340.300654 where: bonds (distance) C4'-P energy: -63.396 bonds (distance) P-C4' energy: -76.640 flat angles C4'-P-C4' energy: -71.000 flat angles P-C4'-P energy: -35.055 tors. eta vs tors. theta energy: -94.211 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: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -973.968608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.968608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.968608 (E_RNA) where: Base-Base interactions energy: -641.049 where: short stacking energy: -300.390 Base-Backbone interact. energy: 0.081 local terms energy: -333.000211 where: bonds (distance) C4'-P energy: -61.786 bonds (distance) P-C4' energy: -67.421 flat angles C4'-P-C4' energy: -64.637 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -91.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -869.750588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.750588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.750588 (E_RNA) where: Base-Base interactions energy: -576.299 where: short stacking energy: -273.742 Base-Backbone interact. energy: 0.296 local terms energy: -293.747740 where: bonds (distance) C4'-P energy: -62.913 bonds (distance) P-C4' energy: -62.353 flat angles C4'-P-C4' energy: -57.147 flat angles P-C4'-P energy: -43.222 tors. eta vs tors. theta energy: -68.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -760.597385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.597385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.597385 (E_RNA) where: Base-Base interactions energy: -480.880 where: short stacking energy: -225.368 Base-Backbone interact. energy: -0.702 local terms energy: -279.014878 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -57.658 flat angles C4'-P-C4' energy: -66.203 flat angles P-C4'-P energy: -39.606 tors. eta vs tors. theta energy: -52.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -565.063786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.063786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.063786 (E_RNA) where: Base-Base interactions energy: -353.266 where: short stacking energy: -174.538 Base-Backbone interact. energy: 0.075 local terms energy: -211.873001 where: bonds (distance) C4'-P energy: -45.519 bonds (distance) P-C4' energy: -57.628 flat angles C4'-P-C4' energy: -51.439 flat angles P-C4'-P energy: -31.531 tors. eta vs tors. theta energy: -25.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -296.522866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.522866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.522866 (E_RNA) where: Base-Base interactions energy: -107.759 where: short stacking energy: -92.419 Base-Backbone interact. energy: -1.811 local terms energy: -186.952518 where: bonds (distance) C4'-P energy: -55.512 bonds (distance) P-C4' energy: -58.725 flat angles C4'-P-C4' energy: -48.147 flat angles P-C4'-P energy: -31.935 tors. eta vs tors. theta energy: 7.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -289.710516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.710516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.710516 (E_RNA) where: Base-Base interactions energy: -95.175 where: short stacking energy: -68.423 Base-Backbone interact. energy: 0.686 local terms energy: -195.221161 where: bonds (distance) C4'-P energy: -66.269 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -49.111 flat angles P-C4'-P energy: -30.266 tors. eta vs tors. theta energy: 6.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1190.348853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.348853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.348853 (E_RNA) where: Base-Base interactions energy: -807.069 where: short stacking energy: -376.914 Base-Backbone interact. energy: -1.564 local terms energy: -381.715642 where: bonds (distance) C4'-P energy: -62.731 bonds (distance) P-C4' energy: -73.279 flat angles C4'-P-C4' energy: -81.181 flat angles P-C4'-P energy: -52.897 tors. eta vs tors. theta energy: -111.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1115.103766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.103766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.103766 (E_RNA) where: Base-Base interactions energy: -759.959 where: short stacking energy: -376.322 Base-Backbone interact. energy: 0.923 local terms energy: -356.068681 where: bonds (distance) C4'-P energy: -56.129 bonds (distance) P-C4' energy: -64.808 flat angles C4'-P-C4' energy: -76.881 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -106.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1008.454915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.454915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.454915 (E_RNA) where: Base-Base interactions energy: -648.721 where: short stacking energy: -322.821 Base-Backbone interact. energy: 0.988 local terms energy: -360.722239 where: bonds (distance) C4'-P energy: -67.758 bonds (distance) P-C4' energy: -67.254 flat angles C4'-P-C4' energy: -79.173 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -90.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -963.031995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.031995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.031995 (E_RNA) where: Base-Base interactions energy: -630.897 where: short stacking energy: -302.913 Base-Backbone interact. energy: -0.288 local terms energy: -331.846941 where: bonds (distance) C4'-P energy: -59.854 bonds (distance) P-C4' energy: -70.556 flat angles C4'-P-C4' energy: -73.483 flat angles P-C4'-P energy: -40.892 tors. eta vs tors. theta energy: -87.061 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: 5 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -961.187499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.187499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.187499 (E_RNA) where: Base-Base interactions energy: -636.790 where: short stacking energy: -287.508 Base-Backbone interact. energy: 0.376 local terms energy: -324.772979 where: bonds (distance) C4'-P energy: -63.498 bonds (distance) P-C4' energy: -63.848 flat angles C4'-P-C4' energy: -69.949 flat angles P-C4'-P energy: -51.090 tors. eta vs tors. theta energy: -76.388 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: 6, replica: 9 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -873.610226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.610226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.610226 (E_RNA) where: Base-Base interactions energy: -580.643 where: short stacking energy: -286.997 Base-Backbone interact. energy: 0.376 local terms energy: -293.343126 where: bonds (distance) C4'-P energy: -58.776 bonds (distance) P-C4' energy: -58.638 flat angles C4'-P-C4' energy: -63.192 flat angles P-C4'-P energy: -45.113 tors. eta vs tors. theta energy: -67.624 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: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -713.082475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.082475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.082475 (E_RNA) where: Base-Base interactions energy: -432.548 where: short stacking energy: -209.208 Base-Backbone interact. energy: 0.015 local terms energy: -280.549631 where: bonds (distance) C4'-P energy: -57.016 bonds (distance) P-C4' energy: -62.167 flat angles C4'-P-C4' energy: -68.362 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: -49.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -611.771421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.771421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.771421 (E_RNA) where: Base-Base interactions energy: -377.932 where: short stacking energy: -191.581 Base-Backbone interact. energy: 2.098 local terms energy: -235.936911 where: bonds (distance) C4'-P energy: -63.530 bonds (distance) P-C4' energy: -64.188 flat angles C4'-P-C4' energy: -54.968 flat angles P-C4'-P energy: -22.561 tors. eta vs tors. theta energy: -30.690 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: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -307.330773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.330773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.330773 (E_RNA) where: Base-Base interactions energy: -106.068 where: short stacking energy: -94.685 Base-Backbone interact. energy: 3.107 local terms energy: -204.369105 where: bonds (distance) C4'-P energy: -49.722 bonds (distance) P-C4' energy: -56.457 flat angles C4'-P-C4' energy: -57.503 flat angles P-C4'-P energy: -35.141 tors. eta vs tors. theta energy: -5.546 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: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -266.621403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.621403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.621403 (E_RNA) where: Base-Base interactions energy: -89.739 where: short stacking energy: -89.739 Base-Backbone interact. energy: -1.430 local terms energy: -175.451711 where: bonds (distance) C4'-P energy: -53.749 bonds (distance) P-C4' energy: -52.557 flat angles C4'-P-C4' energy: -56.573 flat angles P-C4'-P energy: -24.065 tors. eta vs tors. theta energy: 11.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1194.459927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.459927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.459927 (E_RNA) where: Base-Base interactions energy: -799.569 where: short stacking energy: -373.793 Base-Backbone interact. energy: -0.757 local terms energy: -394.134416 where: bonds (distance) C4'-P energy: -61.035 bonds (distance) P-C4' energy: -78.165 flat angles C4'-P-C4' energy: -83.863 flat angles P-C4'-P energy: -57.483 tors. eta vs tors. theta energy: -113.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1144.352986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.352986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.352986 (E_RNA) where: Base-Base interactions energy: -769.634 where: short stacking energy: -362.339 Base-Backbone interact. energy: -0.759 local terms energy: -373.960360 where: bonds (distance) C4'-P energy: -64.545 bonds (distance) P-C4' energy: -60.992 flat angles C4'-P-C4' energy: -84.971 flat angles P-C4'-P energy: -56.150 tors. eta vs tors. theta energy: -107.304 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: 283 Temperature: 1.000000 Total energy: -1041.195921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.195921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.195921 (E_RNA) where: Base-Base interactions energy: -681.645 where: short stacking energy: -325.861 Base-Backbone interact. energy: 0.756 local terms energy: -360.307352 where: bonds (distance) C4'-P energy: -57.509 bonds (distance) P-C4' energy: -74.372 flat angles C4'-P-C4' energy: -75.916 flat angles P-C4'-P energy: -52.849 tors. eta vs tors. theta energy: -99.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -998.471934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.471934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.471934 (E_RNA) where: Base-Base interactions energy: -645.207 where: short stacking energy: -317.427 Base-Backbone interact. energy: 0.875 local terms energy: -354.139820 where: bonds (distance) C4'-P energy: -67.610 bonds (distance) P-C4' energy: -64.544 flat angles C4'-P-C4' energy: -68.834 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: -97.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -981.006789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.006789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.006789 (E_RNA) where: Base-Base interactions energy: -646.194 where: short stacking energy: -307.936 Base-Backbone interact. energy: 0.285 local terms energy: -335.097630 where: bonds (distance) C4'-P energy: -63.553 bonds (distance) P-C4' energy: -57.322 flat angles C4'-P-C4' energy: -69.047 flat angles P-C4'-P energy: -54.370 tors. eta vs tors. theta energy: -90.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -914.796926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.796926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.796926 (E_RNA) where: Base-Base interactions energy: -609.970 where: short stacking energy: -286.285 Base-Backbone interact. energy: -0.167 local terms energy: -304.659193 where: bonds (distance) C4'-P energy: -56.230 bonds (distance) P-C4' energy: -61.495 flat angles C4'-P-C4' energy: -69.496 flat angles P-C4'-P energy: -42.627 tors. eta vs tors. theta energy: -74.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -693.203423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.203423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.203423 (E_RNA) where: Base-Base interactions energy: -418.580 where: short stacking energy: -224.218 Base-Backbone interact. energy: -0.623 local terms energy: -274.000379 where: bonds (distance) C4'-P energy: -57.700 bonds (distance) P-C4' energy: -51.529 flat angles C4'-P-C4' energy: -68.952 flat angles P-C4'-P energy: -42.629 tors. eta vs tors. theta energy: -53.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -646.560410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.560410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.560410 (E_RNA) where: Base-Base interactions energy: -393.611 where: short stacking energy: -178.796 Base-Backbone interact. energy: -1.839 local terms energy: -251.109911 where: bonds (distance) C4'-P energy: -68.444 bonds (distance) P-C4' energy: -57.375 flat angles C4'-P-C4' energy: -54.586 flat angles P-C4'-P energy: -33.737 tors. eta vs tors. theta energy: -36.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -309.197031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.197031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.197031 (E_RNA) where: Base-Base interactions energy: -121.363 where: short stacking energy: -92.182 Base-Backbone interact. energy: 1.512 local terms energy: -189.345469 where: bonds (distance) C4'-P energy: -54.024 bonds (distance) P-C4' energy: -60.915 flat angles C4'-P-C4' energy: -55.763 flat angles P-C4'-P energy: -23.639 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: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -291.933220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.933220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.933220 (E_RNA) where: Base-Base interactions energy: -107.843 where: short stacking energy: -90.825 Base-Backbone interact. energy: 0.886 local terms energy: -184.975811 where: bonds (distance) C4'-P energy: -63.130 bonds (distance) P-C4' energy: -64.362 flat angles C4'-P-C4' energy: -42.801 flat angles P-C4'-P energy: -25.316 tors. eta vs tors. theta energy: 10.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1174.778307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.778307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.778307 (E_RNA) where: Base-Base interactions energy: -805.067 where: short stacking energy: -367.876 Base-Backbone interact. energy: 1.763 local terms energy: -371.474103 where: bonds (distance) C4'-P energy: -62.345 bonds (distance) P-C4' energy: -66.333 flat angles C4'-P-C4' energy: -72.578 flat angles P-C4'-P energy: -59.016 tors. eta vs tors. theta energy: -111.202 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: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1114.059486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.059486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.059486 (E_RNA) where: Base-Base interactions energy: -765.635 where: short stacking energy: -346.198 Base-Backbone interact. energy: 0.109 local terms energy: -348.533859 where: bonds (distance) C4'-P energy: -53.515 bonds (distance) P-C4' energy: -73.593 flat angles C4'-P-C4' energy: -71.485 flat angles P-C4'-P energy: -50.044 tors. eta vs tors. theta energy: -99.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1027.421828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.421828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.421828 (E_RNA) where: Base-Base interactions energy: -682.296 where: short stacking energy: -322.451 Base-Backbone interact. energy: -2.084 local terms energy: -343.041641 where: bonds (distance) C4'-P energy: -52.200 bonds (distance) P-C4' energy: -71.578 flat angles C4'-P-C4' energy: -78.822 flat angles P-C4'-P energy: -40.796 tors. eta vs tors. theta energy: -99.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1007.038240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.038240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.038240 (E_RNA) where: Base-Base interactions energy: -654.594 where: short stacking energy: -328.018 Base-Backbone interact. energy: -0.191 local terms energy: -352.252537 where: bonds (distance) C4'-P energy: -57.172 bonds (distance) P-C4' energy: -59.325 flat angles C4'-P-C4' energy: -80.560 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -105.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -974.779263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.779263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.779263 (E_RNA) where: Base-Base interactions energy: -644.714 where: short stacking energy: -296.737 Base-Backbone interact. energy: -0.562 local terms energy: -329.503095 where: bonds (distance) C4'-P energy: -60.736 bonds (distance) P-C4' energy: -67.351 flat angles C4'-P-C4' energy: -73.380 flat angles P-C4'-P energy: -47.954 tors. eta vs tors. theta energy: -80.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -871.259867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.259867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.259867 (E_RNA) where: Base-Base interactions energy: -582.779 where: short stacking energy: -261.225 Base-Backbone interact. energy: -0.669 local terms energy: -287.812538 where: bonds (distance) C4'-P energy: -51.923 bonds (distance) P-C4' energy: -61.499 flat angles C4'-P-C4' energy: -67.156 flat angles P-C4'-P energy: -33.872 tors. eta vs tors. theta energy: -73.363 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: 284 Temperature: 1.200000 Total energy: -683.304323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.304323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.304323 (E_RNA) where: Base-Base interactions energy: -398.163 where: short stacking energy: -200.359 Base-Backbone interact. energy: -3.373 local terms energy: -281.767897 where: bonds (distance) C4'-P energy: -60.176 bonds (distance) P-C4' energy: -63.530 flat angles C4'-P-C4' energy: -71.017 flat angles P-C4'-P energy: -43.417 tors. eta vs tors. theta energy: -43.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -687.375005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.375005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.375005 (E_RNA) where: Base-Base interactions energy: -432.108 where: short stacking energy: -210.292 Base-Backbone interact. energy: 0.453 local terms energy: -255.719938 where: bonds (distance) C4'-P energy: -51.862 bonds (distance) P-C4' energy: -56.626 flat angles C4'-P-C4' energy: -59.995 flat angles P-C4'-P energy: -29.440 tors. eta vs tors. theta energy: -57.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -324.527790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.527790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.527790 (E_RNA) where: Base-Base interactions energy: -106.191 where: short stacking energy: -98.855 Base-Backbone interact. energy: 2.423 local terms energy: -220.759339 where: bonds (distance) C4'-P energy: -57.771 bonds (distance) P-C4' energy: -65.585 flat angles C4'-P-C4' energy: -53.416 flat angles P-C4'-P energy: -45.307 tors. eta vs tors. theta energy: 1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -287.129252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.129252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.129252 (E_RNA) where: Base-Base interactions energy: -96.941 where: short stacking energy: -81.738 Base-Backbone interact. energy: 6.069 local terms energy: -196.257150 where: bonds (distance) C4'-P energy: -60.331 bonds (distance) P-C4' energy: -67.082 flat angles C4'-P-C4' energy: -44.565 flat angles P-C4'-P energy: -31.896 tors. eta vs tors. theta energy: 7.617 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: 1 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1177.460188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.460188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.460188 (E_RNA) where: Base-Base interactions energy: -800.886 where: short stacking energy: -363.143 Base-Backbone interact. energy: -0.959 local terms energy: -375.615909 where: bonds (distance) C4'-P energy: -63.217 bonds (distance) P-C4' energy: -69.694 flat angles C4'-P-C4' energy: -80.764 flat angles P-C4'-P energy: -56.012 tors. eta vs tors. theta energy: -105.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1108.808369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.808369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.808369 (E_RNA) where: Base-Base interactions energy: -729.592 where: short stacking energy: -345.091 Base-Backbone interact. energy: -1.527 local terms energy: -377.689648 where: bonds (distance) C4'-P energy: -71.425 bonds (distance) P-C4' energy: -73.280 flat angles C4'-P-C4' energy: -73.509 flat angles P-C4'-P energy: -60.558 tors. eta vs tors. theta energy: -98.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1001.574371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.574371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.574371 (E_RNA) where: Base-Base interactions energy: -683.306 where: short stacking energy: -307.864 Base-Backbone interact. energy: 0.991 local terms energy: -319.259585 where: bonds (distance) C4'-P energy: -61.470 bonds (distance) P-C4' energy: -62.842 flat angles C4'-P-C4' energy: -74.346 flat angles P-C4'-P energy: -39.323 tors. eta vs tors. theta energy: -81.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -983.949836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.949836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.949836 (E_RNA) where: Base-Base interactions energy: -644.841 where: short stacking energy: -315.241 Base-Backbone interact. energy: 1.297 local terms energy: -340.406655 where: bonds (distance) C4'-P energy: -55.711 bonds (distance) P-C4' energy: -72.857 flat angles C4'-P-C4' energy: -76.765 flat angles P-C4'-P energy: -49.550 tors. eta vs tors. theta energy: -85.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -925.639256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.639256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.639256 (E_RNA) where: Base-Base interactions energy: -603.531 where: short stacking energy: -275.941 Base-Backbone interact. energy: 2.482 local terms energy: -324.589920 where: bonds (distance) C4'-P energy: -66.898 bonds (distance) P-C4' energy: -64.020 flat angles C4'-P-C4' energy: -72.513 flat angles P-C4'-P energy: -38.635 tors. eta vs tors. theta energy: -82.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -839.041850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.041850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.041850 (E_RNA) where: Base-Base interactions energy: -545.772 where: short stacking energy: -260.563 Base-Backbone interact. energy: 0.939 local terms energy: -294.208462 where: bonds (distance) C4'-P energy: -58.635 bonds (distance) P-C4' energy: -63.748 flat angles C4'-P-C4' energy: -63.578 flat angles P-C4'-P energy: -45.707 tors. eta vs tors. theta energy: -62.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -689.229408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.229408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.229408 (E_RNA) where: Base-Base interactions energy: -427.602 where: short stacking energy: -214.728 Base-Backbone interact. energy: 0.603 local terms energy: -262.229970 where: bonds (distance) C4'-P energy: -51.878 bonds (distance) P-C4' energy: -62.248 flat angles C4'-P-C4' energy: -60.227 flat angles P-C4'-P energy: -36.779 tors. eta vs tors. theta energy: -51.097 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: 285 Temperature: 1.250000 Total energy: -672.974127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.974127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.974127 (E_RNA) where: Base-Base interactions energy: -413.702 where: short stacking energy: -197.888 Base-Backbone interact. energy: -1.059 local terms energy: -258.213088 where: bonds (distance) C4'-P energy: -58.997 bonds (distance) P-C4' energy: -56.774 flat angles C4'-P-C4' energy: -66.361 flat angles P-C4'-P energy: -37.137 tors. eta vs tors. theta energy: -38.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -319.891150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.891150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.891150 (E_RNA) where: Base-Base interactions energy: -131.036 where: short stacking energy: -105.350 Base-Backbone interact. energy: 2.398 local terms energy: -191.252996 where: bonds (distance) C4'-P energy: -60.351 bonds (distance) P-C4' energy: -59.838 flat angles C4'-P-C4' energy: -49.570 flat angles P-C4'-P energy: -24.634 tors. eta vs tors. theta energy: 3.140 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: 10, replica: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -323.856183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.856183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.856183 (E_RNA) where: Base-Base interactions energy: -148.907 where: short stacking energy: -110.205 Base-Backbone interact. energy: 1.081 local terms energy: -176.029633 where: bonds (distance) C4'-P energy: -51.414 bonds (distance) P-C4' energy: -56.471 flat angles C4'-P-C4' energy: -39.730 flat angles P-C4'-P energy: -35.536 tors. eta vs tors. theta energy: 7.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1156.720665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.720665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.720665 (E_RNA) where: Base-Base interactions energy: -774.746 where: short stacking energy: -365.470 Base-Backbone interact. energy: -0.942 local terms energy: -381.031881 where: bonds (distance) C4'-P energy: -68.871 bonds (distance) P-C4' energy: -71.448 flat angles C4'-P-C4' energy: -84.770 flat angles P-C4'-P energy: -51.530 tors. eta vs tors. theta energy: -104.413 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: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1122.034817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.034817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.034817 (E_RNA) where: Base-Base interactions energy: -744.389 where: short stacking energy: -335.223 Base-Backbone interact. energy: -0.949 local terms energy: -376.696233 where: bonds (distance) C4'-P energy: -63.456 bonds (distance) P-C4' energy: -73.646 flat angles C4'-P-C4' energy: -81.000 flat angles P-C4'-P energy: -56.850 tors. eta vs tors. theta energy: -101.744 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: 286 Temperature: 1.000000 Total energy: -1028.210392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.210392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.210392 (E_RNA) where: Base-Base interactions energy: -687.920 where: short stacking energy: -319.926 Base-Backbone interact. energy: -0.269 local terms energy: -340.021351 where: bonds (distance) C4'-P energy: -55.033 bonds (distance) P-C4' energy: -71.914 flat angles C4'-P-C4' energy: -72.195 flat angles P-C4'-P energy: -50.670 tors. eta vs tors. theta energy: -90.209 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: 4, replica: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -979.901137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.901137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.901137 (E_RNA) where: Base-Base interactions energy: -649.645 where: short stacking energy: -314.471 Base-Backbone interact. energy: -0.955 local terms energy: -329.301647 where: bonds (distance) C4'-P energy: -63.033 bonds (distance) P-C4' energy: -60.606 flat angles C4'-P-C4' energy: -65.076 flat angles P-C4'-P energy: -52.522 tors. eta vs tors. theta energy: -88.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -936.676182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.676182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.676182 (E_RNA) where: Base-Base interactions energy: -637.096 where: short stacking energy: -290.391 Base-Backbone interact. energy: -0.090 local terms energy: -299.490354 where: bonds (distance) C4'-P energy: -57.707 bonds (distance) P-C4' energy: -52.653 flat angles C4'-P-C4' energy: -68.290 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: -74.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -823.555296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.555296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.555296 (E_RNA) where: Base-Base interactions energy: -534.916 where: short stacking energy: -257.365 Base-Backbone interact. energy: -1.845 local terms energy: -286.794685 where: bonds (distance) C4'-P energy: -57.798 bonds (distance) P-C4' energy: -63.195 flat angles C4'-P-C4' energy: -70.756 flat angles P-C4'-P energy: -37.721 tors. eta vs tors. theta energy: -57.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -714.987058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.987058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.987058 (E_RNA) where: Base-Base interactions energy: -428.450 where: short stacking energy: -226.885 Base-Backbone interact. energy: -1.207 local terms energy: -285.330102 where: bonds (distance) C4'-P energy: -61.565 bonds (distance) P-C4' energy: -63.686 flat angles C4'-P-C4' energy: -62.977 flat angles P-C4'-P energy: -37.410 tors. eta vs tors. theta energy: -59.692 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: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -636.129972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.129972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.129972 (E_RNA) where: Base-Base interactions energy: -389.067 where: short stacking energy: -205.985 Base-Backbone interact. energy: -0.799 local terms energy: -246.264608 where: bonds (distance) C4'-P energy: -54.113 bonds (distance) P-C4' energy: -67.290 flat angles C4'-P-C4' energy: -54.789 flat angles P-C4'-P energy: -34.557 tors. eta vs tors. theta energy: -35.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -355.398518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.398518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.398518 (E_RNA) where: Base-Base interactions energy: -147.759 where: short stacking energy: -111.807 Base-Backbone interact. energy: -0.851 local terms energy: -206.788849 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -51.972 flat angles C4'-P-C4' energy: -60.570 flat angles P-C4'-P energy: -27.387 tors. eta vs tors. theta energy: -9.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -274.220314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.220314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.220314 (E_RNA) where: Base-Base interactions energy: -103.668 where: short stacking energy: -78.463 Base-Backbone interact. energy: -1.123 local terms energy: -169.429202 where: bonds (distance) C4'-P energy: -49.615 bonds (distance) P-C4' energy: -52.715 flat angles C4'-P-C4' energy: -40.872 flat angles P-C4'-P energy: -37.726 tors. eta vs tors. theta energy: 11.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1167.945362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.945362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.945362 (E_RNA) where: Base-Base interactions energy: -778.439 where: short stacking energy: -368.506 Base-Backbone interact. energy: -0.303 local terms energy: -389.203100 where: bonds (distance) C4'-P energy: -72.905 bonds (distance) P-C4' energy: -67.312 flat angles C4'-P-C4' energy: -81.836 flat angles P-C4'-P energy: -58.806 tors. eta vs tors. theta energy: -108.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1115.456052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.456052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.456052 (E_RNA) where: Base-Base interactions energy: -748.394 where: short stacking energy: -342.013 Base-Backbone interact. energy: -0.582 local terms energy: -366.479574 where: bonds (distance) C4'-P energy: -66.629 bonds (distance) P-C4' energy: -77.183 flat angles C4'-P-C4' energy: -69.818 flat angles P-C4'-P energy: -57.555 tors. eta vs tors. theta energy: -95.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1024.734291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.734291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.734291 (E_RNA) where: Base-Base interactions energy: -673.295 where: short stacking energy: -320.748 Base-Backbone interact. energy: -0.562 local terms energy: -350.877600 where: bonds (distance) C4'-P energy: -64.520 bonds (distance) P-C4' energy: -68.298 flat angles C4'-P-C4' energy: -70.640 flat angles P-C4'-P energy: -44.971 tors. eta vs tors. theta energy: -102.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -979.975242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.975242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.975242 (E_RNA) where: Base-Base interactions energy: -643.510 where: short stacking energy: -309.685 Base-Backbone interact. energy: -2.122 local terms energy: -334.342955 where: bonds (distance) C4'-P energy: -54.199 bonds (distance) P-C4' energy: -60.608 flat angles C4'-P-C4' energy: -79.666 flat angles P-C4'-P energy: -43.495 tors. eta vs tors. theta energy: -96.376 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: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -934.112541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.112541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.112541 (E_RNA) where: Base-Base interactions energy: -611.444 where: short stacking energy: -270.812 Base-Backbone interact. energy: -0.200 local terms energy: -322.469007 where: bonds (distance) C4'-P energy: -60.603 bonds (distance) P-C4' energy: -68.207 flat angles C4'-P-C4' energy: -72.401 flat angles P-C4'-P energy: -51.345 tors. eta vs tors. theta energy: -69.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -828.237543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.237543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.237543 (E_RNA) where: Base-Base interactions energy: -514.752 where: short stacking energy: -242.825 Base-Backbone interact. energy: -0.126 local terms energy: -313.359275 where: bonds (distance) C4'-P energy: -65.466 bonds (distance) P-C4' energy: -76.487 flat angles C4'-P-C4' energy: -71.287 flat angles P-C4'-P energy: -41.220 tors. eta vs tors. theta energy: -58.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -666.362334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.362334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.362334 (E_RNA) where: Base-Base interactions energy: -434.268 where: short stacking energy: -196.987 Base-Backbone interact. energy: 1.446 local terms energy: -233.539719 where: bonds (distance) C4'-P energy: -46.349 bonds (distance) P-C4' energy: -49.295 flat angles C4'-P-C4' energy: -60.918 flat angles P-C4'-P energy: -30.923 tors. eta vs tors. theta energy: -46.055 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: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -636.323807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.323807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.323807 (E_RNA) where: Base-Base interactions energy: -369.461 where: short stacking energy: -189.771 Base-Backbone interact. energy: -0.434 local terms energy: -266.429058 where: bonds (distance) C4'-P energy: -65.860 bonds (distance) P-C4' energy: -61.902 flat angles C4'-P-C4' energy: -62.954 flat angles P-C4'-P energy: -37.540 tors. eta vs tors. theta energy: -38.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -321.374311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.374311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.374311 (E_RNA) where: Base-Base interactions energy: -128.929 where: short stacking energy: -80.714 Base-Backbone interact. energy: -1.158 local terms energy: -191.287816 where: bonds (distance) C4'-P energy: -47.345 bonds (distance) P-C4' energy: -65.113 flat angles C4'-P-C4' energy: -52.599 flat angles P-C4'-P energy: -33.716 tors. eta vs tors. theta energy: 7.485 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: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -290.338792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.338792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.338792 (E_RNA) where: Base-Base interactions energy: -105.709 where: short stacking energy: -88.668 Base-Backbone interact. energy: -1.039 local terms energy: -183.591523 where: bonds (distance) C4'-P energy: -44.288 bonds (distance) P-C4' energy: -60.807 flat angles C4'-P-C4' energy: -49.699 flat angles P-C4'-P energy: -30.781 tors. eta vs tors. theta energy: 1.984 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: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1184.177898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.177898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.177898 (E_RNA) where: Base-Base interactions energy: -781.661 where: short stacking energy: -366.307 Base-Backbone interact. energy: -0.940 local terms energy: -401.576916 where: bonds (distance) C4'-P energy: -76.088 bonds (distance) P-C4' energy: -76.537 flat angles C4'-P-C4' energy: -81.788 flat angles P-C4'-P energy: -57.927 tors. eta vs tors. theta energy: -109.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1103.671822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.671822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.671822 (E_RNA) where: Base-Base interactions energy: -750.421 where: short stacking energy: -339.719 Base-Backbone interact. energy: -1.856 local terms energy: -351.394270 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -65.821 flat angles C4'-P-C4' energy: -78.003 flat angles P-C4'-P energy: -48.303 tors. eta vs tors. theta energy: -95.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1037.299371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.299371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.299371 (E_RNA) where: Base-Base interactions energy: -700.564 where: short stacking energy: -343.689 Base-Backbone interact. energy: 0.416 local terms energy: -337.151901 where: bonds (distance) C4'-P energy: -62.892 bonds (distance) P-C4' energy: -63.586 flat angles C4'-P-C4' energy: -72.206 flat angles P-C4'-P energy: -44.510 tors. eta vs tors. theta energy: -93.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -984.349144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.349144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.349144 (E_RNA) where: Base-Base interactions energy: -672.028 where: short stacking energy: -310.226 Base-Backbone interact. energy: -0.249 local terms energy: -312.072587 where: bonds (distance) C4'-P energy: -54.083 bonds (distance) P-C4' energy: -55.962 flat angles C4'-P-C4' energy: -68.177 flat angles P-C4'-P energy: -42.371 tors. eta vs tors. theta energy: -91.481 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: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -928.851971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.851971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.851971 (E_RNA) where: Base-Base interactions energy: -599.884 where: short stacking energy: -272.232 Base-Backbone interact. energy: -0.635 local terms energy: -328.333316 where: bonds (distance) C4'-P energy: -64.747 bonds (distance) P-C4' energy: -69.121 flat angles C4'-P-C4' energy: -68.485 flat angles P-C4'-P energy: -50.218 tors. eta vs tors. theta energy: -75.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -835.029043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.029043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.029043 (E_RNA) where: Base-Base interactions energy: -521.853 where: short stacking energy: -261.568 Base-Backbone interact. energy: -1.447 local terms energy: -311.729430 where: bonds (distance) C4'-P energy: -66.825 bonds (distance) P-C4' energy: -66.795 flat angles C4'-P-C4' energy: -66.677 flat angles P-C4'-P energy: -39.645 tors. eta vs tors. theta energy: -71.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -642.724808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.724808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.724808 (E_RNA) where: Base-Base interactions energy: -372.475 where: short stacking energy: -195.608 Base-Backbone interact. energy: 0.575 local terms energy: -270.824692 where: bonds (distance) C4'-P energy: -57.958 bonds (distance) P-C4' energy: -72.914 flat angles C4'-P-C4' energy: -57.943 flat angles P-C4'-P energy: -31.091 tors. eta vs tors. theta energy: -50.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -641.478811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.478811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.478811 (E_RNA) where: Base-Base interactions energy: -398.746 where: short stacking energy: -205.083 Base-Backbone interact. energy: -0.938 local terms energy: -241.794151 where: bonds (distance) C4'-P energy: -66.272 bonds (distance) P-C4' energy: -44.128 flat angles C4'-P-C4' energy: -58.853 flat angles P-C4'-P energy: -40.929 tors. eta vs tors. theta energy: -31.613 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: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -336.646265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.646265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.646265 (E_RNA) where: Base-Base interactions energy: -143.921 where: short stacking energy: -114.182 Base-Backbone interact. energy: 2.424 local terms energy: -195.148878 where: bonds (distance) C4'-P energy: -60.920 bonds (distance) P-C4' energy: -53.754 flat angles C4'-P-C4' energy: -53.077 flat angles P-C4'-P energy: -22.573 tors. eta vs tors. theta energy: -4.825 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: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -316.648475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.648475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.648475 (E_RNA) where: Base-Base interactions energy: -120.270 where: short stacking energy: -76.984 Base-Backbone interact. energy: -1.741 local terms energy: -194.637953 where: bonds (distance) C4'-P energy: -56.150 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -49.277 flat angles P-C4'-P energy: -24.848 tors. eta vs tors. theta energy: -0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1182.218672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.218672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.218672 (E_RNA) where: Base-Base interactions energy: -810.728 where: short stacking energy: -383.284 Base-Backbone interact. energy: -1.449 local terms energy: -370.042059 where: bonds (distance) C4'-P energy: -65.493 bonds (distance) P-C4' energy: -69.250 flat angles C4'-P-C4' energy: -74.208 flat angles P-C4'-P energy: -52.043 tors. eta vs tors. theta energy: -109.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1122.487832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.487832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.487832 (E_RNA) where: Base-Base interactions energy: -759.755 where: short stacking energy: -353.182 Base-Backbone interact. energy: -1.391 local terms energy: -361.342013 where: bonds (distance) C4'-P energy: -63.455 bonds (distance) P-C4' energy: -62.903 flat angles C4'-P-C4' energy: -82.953 flat angles P-C4'-P energy: -52.942 tors. eta vs tors. theta energy: -99.089 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: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1038.334417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.334417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.334417 (E_RNA) where: Base-Base interactions energy: -677.515 where: short stacking energy: -323.304 Base-Backbone interact. energy: -1.919 local terms energy: -358.899966 where: bonds (distance) C4'-P energy: -63.841 bonds (distance) P-C4' energy: -70.538 flat angles C4'-P-C4' energy: -74.023 flat angles P-C4'-P energy: -48.426 tors. eta vs tors. theta energy: -102.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -963.623442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.623442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.623442 (E_RNA) where: Base-Base interactions energy: -652.901 where: short stacking energy: -304.548 Base-Backbone interact. energy: 1.231 local terms energy: -311.953953 where: bonds (distance) C4'-P energy: -46.213 bonds (distance) P-C4' energy: -58.483 flat angles C4'-P-C4' energy: -67.219 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: -90.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -884.608845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.608845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.608845 (E_RNA) where: Base-Base interactions energy: -606.063 where: short stacking energy: -276.893 Base-Backbone interact. energy: -0.242 local terms energy: -278.303707 where: bonds (distance) C4'-P energy: -52.242 bonds (distance) P-C4' energy: -56.673 flat angles C4'-P-C4' energy: -64.228 flat angles P-C4'-P energy: -38.375 tors. eta vs tors. theta energy: -66.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -809.041755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.041755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.041755 (E_RNA) where: Base-Base interactions energy: -507.812 where: short stacking energy: -226.224 Base-Backbone interact. energy: -0.871 local terms energy: -300.358798 where: bonds (distance) C4'-P energy: -66.618 bonds (distance) P-C4' energy: -60.471 flat angles C4'-P-C4' energy: -65.647 flat angles P-C4'-P energy: -40.148 tors. eta vs tors. theta energy: -67.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -638.583102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.583102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.583102 (E_RNA) where: Base-Base interactions energy: -385.274 where: short stacking energy: -202.394 Base-Backbone interact. energy: -0.152 local terms energy: -253.157625 where: bonds (distance) C4'-P energy: -47.444 bonds (distance) P-C4' energy: -67.255 flat angles C4'-P-C4' energy: -46.350 flat angles P-C4'-P energy: -26.937 tors. eta vs tors. theta energy: -65.172 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: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -619.651606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.651606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.651606 (E_RNA) where: Base-Base interactions energy: -334.003 where: short stacking energy: -179.743 Base-Backbone interact. energy: -0.495 local terms energy: -285.153725 where: bonds (distance) C4'-P energy: -52.398 bonds (distance) P-C4' energy: -68.770 flat angles C4'-P-C4' energy: -69.104 flat angles P-C4'-P energy: -42.827 tors. eta vs tors. theta energy: -52.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -318.060825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.060825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.060825 (E_RNA) where: Base-Base interactions energy: -120.819 where: short stacking energy: -89.872 Base-Backbone interact. energy: -0.608 local terms energy: -196.633181 where: bonds (distance) C4'-P energy: -62.759 bonds (distance) P-C4' energy: -61.099 flat angles C4'-P-C4' energy: -49.177 flat angles P-C4'-P energy: -32.509 tors. eta vs tors. theta energy: 8.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -285.039003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.039003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.039003 (E_RNA) where: Base-Base interactions energy: -101.799 where: short stacking energy: -79.964 Base-Backbone interact. energy: 1.115 local terms energy: -184.354969 where: bonds (distance) C4'-P energy: -59.853 bonds (distance) P-C4' energy: -59.375 flat angles C4'-P-C4' energy: -37.869 flat angles P-C4'-P energy: -39.821 tors. eta vs tors. theta energy: 12.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1175.168401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.168401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.168401 (E_RNA) where: Base-Base interactions energy: -794.773 where: short stacking energy: -366.899 Base-Backbone interact. energy: -0.482 local terms energy: -379.913306 where: bonds (distance) C4'-P energy: -66.242 bonds (distance) P-C4' energy: -68.604 flat angles C4'-P-C4' energy: -81.951 flat angles P-C4'-P energy: -52.145 tors. eta vs tors. theta energy: -110.972 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: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1121.347474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.347474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.347474 (E_RNA) where: Base-Base interactions energy: -761.330 where: short stacking energy: -342.272 Base-Backbone interact. energy: -0.206 local terms energy: -359.811815 where: bonds (distance) C4'-P energy: -62.268 bonds (distance) P-C4' energy: -62.607 flat angles C4'-P-C4' energy: -81.530 flat angles P-C4'-P energy: -56.799 tors. eta vs tors. theta energy: -96.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1009.567633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.567633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.567633 (E_RNA) where: Base-Base interactions energy: -670.331 where: short stacking energy: -324.101 Base-Backbone interact. energy: -1.511 local terms energy: -337.726044 where: bonds (distance) C4'-P energy: -61.867 bonds (distance) P-C4' energy: -53.572 flat angles C4'-P-C4' energy: -76.280 flat angles P-C4'-P energy: -55.547 tors. eta vs tors. theta energy: -90.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1019.011035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.011035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.011035 (E_RNA) where: Base-Base interactions energy: -683.764 where: short stacking energy: -314.499 Base-Backbone interact. energy: -2.566 local terms energy: -332.681004 where: bonds (distance) C4'-P energy: -57.790 bonds (distance) P-C4' energy: -64.813 flat angles C4'-P-C4' energy: -69.441 flat angles P-C4'-P energy: -49.149 tors. eta vs tors. theta energy: -91.489 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: 5, replica: 5 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -911.613241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.613241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.613241 (E_RNA) where: Base-Base interactions energy: -597.530 where: short stacking energy: -277.892 Base-Backbone interact. energy: -1.092 local terms energy: -312.991176 where: bonds (distance) C4'-P energy: -52.803 bonds (distance) P-C4' energy: -68.100 flat angles C4'-P-C4' energy: -73.904 flat angles P-C4'-P energy: -48.953 tors. eta vs tors. theta energy: -69.231 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: 9 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -801.526304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.526304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.526304 (E_RNA) where: Base-Base interactions energy: -518.690 where: short stacking energy: -258.594 Base-Backbone interact. energy: 0.618 local terms energy: -283.454355 where: bonds (distance) C4'-P energy: -49.294 bonds (distance) P-C4' energy: -62.367 flat angles C4'-P-C4' energy: -61.445 flat angles P-C4'-P energy: -47.213 tors. eta vs tors. theta energy: -63.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -646.226707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.226707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.226707 (E_RNA) where: Base-Base interactions energy: -381.134 where: short stacking energy: -217.109 Base-Backbone interact. energy: 3.793 local terms energy: -268.885222 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -50.093 flat angles C4'-P-C4' energy: -68.138 flat angles P-C4'-P energy: -40.472 tors. eta vs tors. theta energy: -50.163 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: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -590.041185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.041185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.041185 (E_RNA) where: Base-Base interactions energy: -340.685 where: short stacking energy: -154.216 Base-Backbone interact. energy: 5.404 local terms energy: -254.760225 where: bonds (distance) C4'-P energy: -61.906 bonds (distance) P-C4' energy: -62.511 flat angles C4'-P-C4' energy: -60.823 flat angles P-C4'-P energy: -34.749 tors. eta vs tors. theta energy: -34.772 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: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -376.668518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.668518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.668518 (E_RNA) where: Base-Base interactions energy: -180.994 where: short stacking energy: -127.896 Base-Backbone interact. energy: -0.679 local terms energy: -194.995491 where: bonds (distance) C4'-P energy: -54.848 bonds (distance) P-C4' energy: -45.262 flat angles C4'-P-C4' energy: -38.429 flat angles P-C4'-P energy: -29.360 tors. eta vs tors. theta energy: -27.097 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: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -305.976063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.976063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.976063 (E_RNA) where: Base-Base interactions energy: -103.696 where: short stacking energy: -103.220 Base-Backbone interact. energy: -0.455 local terms energy: -201.824961 where: bonds (distance) C4'-P energy: -55.004 bonds (distance) P-C4' energy: -63.353 flat angles C4'-P-C4' energy: -43.729 flat angles P-C4'-P energy: -31.750 tors. eta vs tors. theta energy: -7.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1180.730148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.730148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.730148 (E_RNA) where: Base-Base interactions energy: -790.195 where: short stacking energy: -379.507 Base-Backbone interact. energy: -0.524 local terms energy: -390.011319 where: bonds (distance) C4'-P energy: -72.498 bonds (distance) P-C4' energy: -70.935 flat angles C4'-P-C4' energy: -79.777 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -113.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1111.875474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.875474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.875474 (E_RNA) where: Base-Base interactions energy: -748.076 where: short stacking energy: -337.301 Base-Backbone interact. energy: 0.072 local terms energy: -363.871528 where: bonds (distance) C4'-P energy: -68.785 bonds (distance) P-C4' energy: -65.436 flat angles C4'-P-C4' energy: -75.413 flat angles P-C4'-P energy: -46.590 tors. eta vs tors. theta energy: -107.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1017.404980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.404980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.404980 (E_RNA) where: Base-Base interactions energy: -664.420 where: short stacking energy: -326.868 Base-Backbone interact. energy: -1.158 local terms energy: -351.826474 where: bonds (distance) C4'-P energy: -65.539 bonds (distance) P-C4' energy: -67.262 flat angles C4'-P-C4' energy: -77.415 flat angles P-C4'-P energy: -51.559 tors. eta vs tors. theta energy: -90.051 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: 3 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1041.714558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.714558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.714558 (E_RNA) where: Base-Base interactions energy: -702.271 where: short stacking energy: -325.693 Base-Backbone interact. energy: -0.555 local terms energy: -338.888973 where: bonds (distance) C4'-P energy: -64.159 bonds (distance) P-C4' energy: -61.657 flat angles C4'-P-C4' energy: -73.075 flat angles P-C4'-P energy: -44.616 tors. eta vs tors. theta energy: -95.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -895.689907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.689907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.689907 (E_RNA) where: Base-Base interactions energy: -599.880 where: short stacking energy: -265.745 Base-Backbone interact. energy: -0.400 local terms energy: -295.409866 where: bonds (distance) C4'-P energy: -60.811 bonds (distance) P-C4' energy: -55.173 flat angles C4'-P-C4' energy: -67.013 flat angles P-C4'-P energy: -43.336 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: 6, replica: 9 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -790.900851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.900851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.900851 (E_RNA) where: Base-Base interactions energy: -515.771 where: short stacking energy: -237.768 Base-Backbone interact. energy: 1.485 local terms energy: -276.614783 where: bonds (distance) C4'-P energy: -55.369 bonds (distance) P-C4' energy: -60.361 flat angles C4'-P-C4' energy: -64.418 flat angles P-C4'-P energy: -39.033 tors. eta vs tors. theta energy: -57.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -672.346560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.346560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.346560 (E_RNA) where: Base-Base interactions energy: -393.026 where: short stacking energy: -229.248 Base-Backbone interact. energy: -1.692 local terms energy: -277.628527 where: bonds (distance) C4'-P energy: -65.116 bonds (distance) P-C4' energy: -64.069 flat angles C4'-P-C4' energy: -61.064 flat angles P-C4'-P energy: -38.642 tors. eta vs tors. theta energy: -48.738 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: 8, replica: 2 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -562.006468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.006468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.006468 (E_RNA) where: Base-Base interactions energy: -323.222 where: short stacking energy: -158.337 Base-Backbone interact. energy: -1.713 local terms energy: -237.071514 where: bonds (distance) C4'-P energy: -72.920 bonds (distance) P-C4' energy: -56.172 flat angles C4'-P-C4' energy: -48.857 flat angles P-C4'-P energy: -43.453 tors. eta vs tors. theta energy: -15.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -373.226700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.226700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.226700 (E_RNA) where: Base-Base interactions energy: -170.025 where: short stacking energy: -123.389 Base-Backbone interact. energy: -0.564 local terms energy: -202.637751 where: bonds (distance) C4'-P energy: -52.378 bonds (distance) P-C4' energy: -51.366 flat angles C4'-P-C4' energy: -44.300 flat angles P-C4'-P energy: -36.835 tors. eta vs tors. theta energy: -17.760 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: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -292.239914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.239914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.239914 (E_RNA) where: Base-Base interactions energy: -83.169 where: short stacking energy: -76.118 Base-Backbone interact. energy: -4.526 local terms energy: -204.545367 where: bonds (distance) C4'-P energy: -57.757 bonds (distance) P-C4' energy: -62.582 flat angles C4'-P-C4' energy: -53.256 flat angles P-C4'-P energy: -39.175 tors. eta vs tors. theta energy: 8.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1173.976205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.976205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.976205 (E_RNA) where: Base-Base interactions energy: -784.535 where: short stacking energy: -380.322 Base-Backbone interact. energy: -1.259 local terms energy: -388.181917 where: bonds (distance) C4'-P energy: -68.715 bonds (distance) P-C4' energy: -69.854 flat angles C4'-P-C4' energy: -84.667 flat angles P-C4'-P energy: -52.536 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: 2, replica: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1120.276173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.276173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.276173 (E_RNA) where: Base-Base interactions energy: -766.571 where: short stacking energy: -368.830 Base-Backbone interact. energy: -0.715 local terms energy: -352.989838 where: bonds (distance) C4'-P energy: -62.233 bonds (distance) P-C4' energy: -64.476 flat angles C4'-P-C4' energy: -75.652 flat angles P-C4'-P energy: -50.295 tors. eta vs tors. theta energy: -100.334 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: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1070.731515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.731515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.731515 (E_RNA) where: Base-Base interactions energy: -725.137 where: short stacking energy: -336.987 Base-Backbone interact. energy: -2.124 local terms energy: -343.470243 where: bonds (distance) C4'-P energy: -63.405 bonds (distance) P-C4' energy: -62.823 flat angles C4'-P-C4' energy: -62.705 flat angles P-C4'-P energy: -51.226 tors. eta vs tors. theta energy: -103.311 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: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -994.494390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.494390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.494390 (E_RNA) where: Base-Base interactions energy: -649.330 where: short stacking energy: -299.801 Base-Backbone interact. energy: -0.097 local terms energy: -345.067842 where: bonds (distance) C4'-P energy: -72.562 bonds (distance) P-C4' energy: -70.711 flat angles C4'-P-C4' energy: -75.306 flat angles P-C4'-P energy: -43.747 tors. eta vs tors. theta energy: -82.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -905.862554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.862554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.862554 (E_RNA) where: Base-Base interactions energy: -595.008 where: short stacking energy: -271.413 Base-Backbone interact. energy: 0.014 local terms energy: -310.868380 where: bonds (distance) C4'-P energy: -69.212 bonds (distance) P-C4' energy: -70.537 flat angles C4'-P-C4' energy: -65.020 flat angles P-C4'-P energy: -40.616 tors. eta vs tors. theta energy: -65.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -797.995945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.995945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.995945 (E_RNA) where: Base-Base interactions energy: -511.864 where: short stacking energy: -239.408 Base-Backbone interact. energy: -0.574 local terms energy: -285.557737 where: bonds (distance) C4'-P energy: -64.311 bonds (distance) P-C4' energy: -60.672 flat angles C4'-P-C4' energy: -63.437 flat angles P-C4'-P energy: -45.332 tors. eta vs tors. theta energy: -51.807 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: 292 Temperature: 1.200000 Total energy: -650.145059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.145059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.145059 (E_RNA) where: Base-Base interactions energy: -379.368 where: short stacking energy: -187.768 Base-Backbone interact. energy: -1.237 local terms energy: -269.540031 where: bonds (distance) C4'-P energy: -67.849 bonds (distance) P-C4' energy: -63.197 flat angles C4'-P-C4' energy: -68.420 flat angles P-C4'-P energy: -46.506 tors. eta vs tors. theta energy: -23.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -581.238830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.238830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.238830 (E_RNA) where: Base-Base interactions energy: -345.411 where: short stacking energy: -187.074 Base-Backbone interact. energy: -1.263 local terms energy: -234.564852 where: bonds (distance) C4'-P energy: -55.966 bonds (distance) P-C4' energy: -60.233 flat angles C4'-P-C4' energy: -62.521 flat angles P-C4'-P energy: -32.882 tors. eta vs tors. theta energy: -22.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -312.130249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.130249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.130249 (E_RNA) where: Base-Base interactions energy: -121.412 where: short stacking energy: -97.550 Base-Backbone interact. energy: -0.357 local terms energy: -190.361527 where: bonds (distance) C4'-P energy: -58.699 bonds (distance) P-C4' energy: -64.599 flat angles C4'-P-C4' energy: -42.999 flat angles P-C4'-P energy: -22.884 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -284.931193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.931193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.931193 (E_RNA) where: Base-Base interactions energy: -94.047 where: short stacking energy: -85.837 Base-Backbone interact. energy: -1.177 local terms energy: -189.706654 where: bonds (distance) C4'-P energy: -60.551 bonds (distance) P-C4' energy: -47.766 flat angles C4'-P-C4' energy: -52.237 flat angles P-C4'-P energy: -28.935 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1173.887318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.887318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.887318 (E_RNA) where: Base-Base interactions energy: -791.713 where: short stacking energy: -370.623 Base-Backbone interact. energy: 0.963 local terms energy: -383.137360 where: bonds (distance) C4'-P energy: -65.757 bonds (distance) P-C4' energy: -71.129 flat angles C4'-P-C4' energy: -86.265 flat angles P-C4'-P energy: -49.929 tors. eta vs tors. theta energy: -110.058 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: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1106.307874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.307874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.307874 (E_RNA) where: Base-Base interactions energy: -737.530 where: short stacking energy: -339.814 Base-Backbone interact. energy: -1.977 local terms energy: -366.801457 where: bonds (distance) C4'-P energy: -72.307 bonds (distance) P-C4' energy: -69.287 flat angles C4'-P-C4' energy: -67.755 flat angles P-C4'-P energy: -55.965 tors. eta vs tors. theta energy: -101.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1091.947383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.947383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.947383 (E_RNA) where: Base-Base interactions energy: -725.128 where: short stacking energy: -319.307 Base-Backbone interact. energy: 0.621 local terms energy: -367.440555 where: bonds (distance) C4'-P energy: -68.380 bonds (distance) P-C4' energy: -72.325 flat angles C4'-P-C4' energy: -84.296 flat angles P-C4'-P energy: -49.434 tors. eta vs tors. theta energy: -93.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -966.040841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.040841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.040841 (E_RNA) where: Base-Base interactions energy: -631.104 where: short stacking energy: -313.684 Base-Backbone interact. energy: -0.825 local terms energy: -334.112302 where: bonds (distance) C4'-P energy: -69.029 bonds (distance) P-C4' energy: -56.653 flat angles C4'-P-C4' energy: -77.631 flat angles P-C4'-P energy: -45.933 tors. eta vs tors. theta energy: -84.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -963.417803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.417803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.417803 (E_RNA) where: Base-Base interactions energy: -629.296 where: short stacking energy: -307.339 Base-Backbone interact. energy: -0.507 local terms energy: -333.614044 where: bonds (distance) C4'-P energy: -64.468 bonds (distance) P-C4' energy: -61.899 flat angles C4'-P-C4' energy: -67.220 flat angles P-C4'-P energy: -51.870 tors. eta vs tors. theta energy: -88.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -823.872709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.872709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.872709 (E_RNA) where: Base-Base interactions energy: -528.444 where: short stacking energy: -264.247 Base-Backbone interact. energy: 0.411 local terms energy: -295.839249 where: bonds (distance) C4'-P energy: -59.698 bonds (distance) P-C4' energy: -55.484 flat angles C4'-P-C4' energy: -69.890 flat angles P-C4'-P energy: -44.467 tors. eta vs tors. theta energy: -66.302 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: 7, replica: 2 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -618.034477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.034477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.034477 (E_RNA) where: Base-Base interactions energy: -353.533 where: short stacking energy: -156.189 Base-Backbone interact. energy: 1.330 local terms energy: -265.831742 where: bonds (distance) C4'-P energy: -70.393 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -57.988 flat angles P-C4'-P energy: -39.525 tors. eta vs tors. theta energy: -35.821 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: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -606.030844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.030844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.030844 (E_RNA) where: Base-Base interactions energy: -342.946 where: short stacking energy: -180.976 Base-Backbone interact. energy: -1.229 local terms energy: -261.855635 where: bonds (distance) C4'-P energy: -51.893 bonds (distance) P-C4' energy: -65.075 flat angles C4'-P-C4' energy: -64.320 flat angles P-C4'-P energy: -43.651 tors. eta vs tors. theta energy: -36.918 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: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -350.001818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.001818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.001818 (E_RNA) where: Base-Base interactions energy: -141.774 where: short stacking energy: -120.778 Base-Backbone interact. energy: 1.081 local terms energy: -209.308738 where: bonds (distance) C4'-P energy: -53.362 bonds (distance) P-C4' energy: -59.663 flat angles C4'-P-C4' energy: -61.853 flat angles P-C4'-P energy: -26.016 tors. eta vs tors. theta energy: -8.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -309.929251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.929251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.929251 (E_RNA) where: Base-Base interactions energy: -111.331 where: short stacking energy: -101.290 Base-Backbone interact. energy: 3.120 local terms energy: -201.718530 where: bonds (distance) C4'-P energy: -42.070 bonds (distance) P-C4' energy: -64.000 flat angles C4'-P-C4' energy: -61.771 flat angles P-C4'-P energy: -32.636 tors. eta vs tors. theta energy: -1.242 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: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1182.191424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.191424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.191424 (E_RNA) where: Base-Base interactions energy: -799.198 where: short stacking energy: -381.336 Base-Backbone interact. energy: 0.074 local terms energy: -383.066882 where: bonds (distance) C4'-P energy: -75.192 bonds (distance) P-C4' energy: -67.691 flat angles C4'-P-C4' energy: -74.897 flat angles P-C4'-P energy: -55.070 tors. eta vs tors. theta energy: -110.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1104.810423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.810423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.810423 (E_RNA) where: Base-Base interactions energy: -731.704 where: short stacking energy: -347.620 Base-Backbone interact. energy: -1.592 local terms energy: -371.515381 where: bonds (distance) C4'-P energy: -70.562 bonds (distance) P-C4' energy: -69.254 flat angles C4'-P-C4' energy: -75.250 flat angles P-C4'-P energy: -49.910 tors. eta vs tors. theta energy: -106.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1075.116302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.116302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.116302 (E_RNA) where: Base-Base interactions energy: -718.970 where: short stacking energy: -332.956 Base-Backbone interact. energy: -2.119 local terms energy: -354.027449 where: bonds (distance) C4'-P energy: -69.347 bonds (distance) P-C4' energy: -77.354 flat angles C4'-P-C4' energy: -70.450 flat angles P-C4'-P energy: -37.816 tors. eta vs tors. theta energy: -99.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -987.288246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.288246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.288246 (E_RNA) where: Base-Base interactions energy: -666.084 where: short stacking energy: -307.119 Base-Backbone interact. energy: -1.427 local terms energy: -319.776925 where: bonds (distance) C4'-P energy: -61.565 bonds (distance) P-C4' energy: -59.591 flat angles C4'-P-C4' energy: -72.229 flat angles P-C4'-P energy: -44.501 tors. eta vs tors. theta energy: -81.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -988.824929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.824929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.824929 (E_RNA) where: Base-Base interactions energy: -648.999 where: short stacking energy: -325.688 Base-Backbone interact. energy: -1.306 local terms energy: -338.519836 where: bonds (distance) C4'-P energy: -72.360 bonds (distance) P-C4' energy: -65.731 flat angles C4'-P-C4' energy: -68.196 flat angles P-C4'-P energy: -44.305 tors. eta vs tors. theta energy: -87.928 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: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -832.747811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.747811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.747811 (E_RNA) where: Base-Base interactions energy: -529.775 where: short stacking energy: -255.742 Base-Backbone interact. energy: -1.001 local terms energy: -301.972603 where: bonds (distance) C4'-P energy: -70.218 bonds (distance) P-C4' energy: -51.857 flat angles C4'-P-C4' energy: -71.059 flat angles P-C4'-P energy: -39.078 tors. eta vs tors. theta energy: -69.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -633.178578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.178578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.178578 (E_RNA) where: Base-Base interactions energy: -366.903 where: short stacking energy: -205.885 Base-Backbone interact. energy: 2.121 local terms energy: -268.396555 where: bonds (distance) C4'-P energy: -52.198 bonds (distance) P-C4' energy: -72.845 flat angles C4'-P-C4' energy: -64.571 flat angles P-C4'-P energy: -38.913 tors. eta vs tors. theta energy: -39.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -541.000063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.000063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.000063 (E_RNA) where: Base-Base interactions energy: -332.083 where: short stacking energy: -152.566 Base-Backbone interact. energy: 2.553 local terms energy: -211.470085 where: bonds (distance) C4'-P energy: -58.029 bonds (distance) P-C4' energy: -64.624 flat angles C4'-P-C4' energy: -49.337 flat angles P-C4'-P energy: -26.241 tors. eta vs tors. theta energy: -13.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -353.744560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.744560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.744560 (E_RNA) where: Base-Base interactions energy: -132.542 where: short stacking energy: -103.770 Base-Backbone interact. energy: -2.222 local terms energy: -218.980607 where: bonds (distance) C4'-P energy: -55.852 bonds (distance) P-C4' energy: -60.544 flat angles C4'-P-C4' energy: -61.287 flat angles P-C4'-P energy: -31.760 tors. eta vs tors. theta energy: -9.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -320.130518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.130518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.130518 (E_RNA) where: Base-Base interactions energy: -145.435 where: short stacking energy: -96.366 Base-Backbone interact. energy: -0.988 local terms energy: -173.707255 where: bonds (distance) C4'-P energy: -59.058 bonds (distance) P-C4' energy: -53.231 flat angles C4'-P-C4' energy: -46.463 flat angles P-C4'-P energy: -16.827 tors. eta vs tors. theta energy: 1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1187.291783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.291783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.291783 (E_RNA) where: Base-Base interactions energy: -811.508 where: short stacking energy: -369.053 Base-Backbone interact. energy: -1.426 local terms energy: -374.357679 where: bonds (distance) C4'-P energy: -69.066 bonds (distance) P-C4' energy: -68.039 flat angles C4'-P-C4' energy: -70.213 flat angles P-C4'-P energy: -61.400 tors. eta vs tors. theta energy: -105.640 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: 8 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1138.761936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.761936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.761936 (E_RNA) where: Base-Base interactions energy: -778.001 where: short stacking energy: -375.701 Base-Backbone interact. energy: -2.089 local terms energy: -358.671985 where: bonds (distance) C4'-P energy: -61.455 bonds (distance) P-C4' energy: -58.832 flat angles C4'-P-C4' energy: -85.311 flat angles P-C4'-P energy: -42.449 tors. eta vs tors. theta energy: -110.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1078.132234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.132234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.132234 (E_RNA) where: Base-Base interactions energy: -740.688 where: short stacking energy: -335.355 Base-Backbone interact. energy: -0.930 local terms energy: -336.513758 where: bonds (distance) C4'-P energy: -44.438 bonds (distance) P-C4' energy: -67.965 flat angles C4'-P-C4' energy: -76.341 flat angles P-C4'-P energy: -51.714 tors. eta vs tors. theta energy: -96.054 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: 5 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -990.527920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.527920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.527920 (E_RNA) where: Base-Base interactions energy: -673.343 where: short stacking energy: -310.635 Base-Backbone interact. energy: -1.400 local terms energy: -315.784379 where: bonds (distance) C4'-P energy: -70.014 bonds (distance) P-C4' energy: -60.900 flat angles C4'-P-C4' energy: -61.861 flat angles P-C4'-P energy: -39.394 tors. eta vs tors. theta energy: -83.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -997.840781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.840781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.840781 (E_RNA) where: Base-Base interactions energy: -649.234 where: short stacking energy: -311.068 Base-Backbone interact. energy: -0.293 local terms energy: -348.313742 where: bonds (distance) C4'-P energy: -54.601 bonds (distance) P-C4' energy: -71.246 flat angles C4'-P-C4' energy: -74.658 flat angles P-C4'-P energy: -59.128 tors. eta vs tors. theta energy: -88.680 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: 9 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -820.308076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.308076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.308076 (E_RNA) where: Base-Base interactions energy: -525.302 where: short stacking energy: -242.805 Base-Backbone interact. energy: 1.508 local terms energy: -296.514679 where: bonds (distance) C4'-P energy: -55.826 bonds (distance) P-C4' energy: -67.352 flat angles C4'-P-C4' energy: -69.139 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -58.166 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: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -609.284281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.284281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.284281 (E_RNA) where: Base-Base interactions energy: -365.180 where: short stacking energy: -194.095 Base-Backbone interact. energy: 2.781 local terms energy: -246.885442 where: bonds (distance) C4'-P energy: -59.523 bonds (distance) P-C4' energy: -57.806 flat angles C4'-P-C4' energy: -55.918 flat angles P-C4'-P energy: -32.625 tors. eta vs tors. theta energy: -41.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -485.377424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.377424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.377424 (E_RNA) where: Base-Base interactions energy: -258.223 where: short stacking energy: -137.521 Base-Backbone interact. energy: -0.599 local terms energy: -226.554917 where: bonds (distance) C4'-P energy: -57.477 bonds (distance) P-C4' energy: -68.193 flat angles C4'-P-C4' energy: -58.675 flat angles P-C4'-P energy: -39.649 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -366.979973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.979973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.979973 (E_RNA) where: Base-Base interactions energy: -154.473 where: short stacking energy: -109.160 Base-Backbone interact. energy: -1.341 local terms energy: -211.165528 where: bonds (distance) C4'-P energy: -60.984 bonds (distance) P-C4' energy: -53.811 flat angles C4'-P-C4' energy: -62.481 flat angles P-C4'-P energy: -29.250 tors. eta vs tors. theta energy: -4.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -324.188970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.188970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.188970 (E_RNA) where: Base-Base interactions energy: -137.065 where: short stacking energy: -98.221 Base-Backbone interact. energy: -0.667 local terms energy: -186.457358 where: bonds (distance) C4'-P energy: -50.017 bonds (distance) P-C4' energy: -50.956 flat angles C4'-P-C4' energy: -57.550 flat angles P-C4'-P energy: -29.673 tors. eta vs tors. theta energy: 1.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1151.996071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.996071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.996071 (E_RNA) where: Base-Base interactions energy: -781.897 where: short stacking energy: -353.204 Base-Backbone interact. energy: -1.661 local terms energy: -368.438412 where: bonds (distance) C4'-P energy: -61.981 bonds (distance) P-C4' energy: -69.808 flat angles C4'-P-C4' energy: -84.967 flat angles P-C4'-P energy: -49.185 tors. eta vs tors. theta energy: -102.498 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: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1170.446576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.446576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.446576 (E_RNA) where: Base-Base interactions energy: -804.547 where: short stacking energy: -380.648 Base-Backbone interact. energy: -0.036 local terms energy: -365.863470 where: bonds (distance) C4'-P energy: -63.068 bonds (distance) P-C4' energy: -55.889 flat angles C4'-P-C4' energy: -80.141 flat angles P-C4'-P energy: -55.712 tors. eta vs tors. theta energy: -111.054 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: 3, replica: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1086.641564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.641564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.641564 (E_RNA) where: Base-Base interactions energy: -730.310 where: short stacking energy: -325.635 Base-Backbone interact. energy: 0.004 local terms energy: -356.334933 where: bonds (distance) C4'-P energy: -64.319 bonds (distance) P-C4' energy: -68.477 flat angles C4'-P-C4' energy: -78.523 flat angles P-C4'-P energy: -55.074 tors. eta vs tors. theta energy: -89.942 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: 4, replica: 5 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -960.622099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.622099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.622099 (E_RNA) where: Base-Base interactions energy: -672.440 where: short stacking energy: -299.331 Base-Backbone interact. energy: -0.905 local terms energy: -287.277225 where: bonds (distance) C4'-P energy: -54.108 bonds (distance) P-C4' energy: -46.601 flat angles C4'-P-C4' energy: -71.417 flat angles P-C4'-P energy: -45.498 tors. eta vs tors. theta energy: -69.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -984.502075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.502075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.502075 (E_RNA) where: Base-Base interactions energy: -646.571 where: short stacking energy: -296.892 Base-Backbone interact. energy: -1.261 local terms energy: -336.669339 where: bonds (distance) C4'-P energy: -63.724 bonds (distance) P-C4' energy: -71.810 flat angles C4'-P-C4' energy: -71.942 flat angles P-C4'-P energy: -47.901 tors. eta vs tors. theta energy: -81.292 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: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -823.088944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.088944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.088944 (E_RNA) where: Base-Base interactions energy: -547.424 where: short stacking energy: -242.933 Base-Backbone interact. energy: 0.352 local terms energy: -276.017269 where: bonds (distance) C4'-P energy: -44.669 bonds (distance) P-C4' energy: -69.827 flat angles C4'-P-C4' energy: -64.459 flat angles P-C4'-P energy: -33.918 tors. eta vs tors. theta energy: -63.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -647.762586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.762586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.762586 (E_RNA) where: Base-Base interactions energy: -359.628 where: short stacking energy: -183.495 Base-Backbone interact. energy: -0.735 local terms energy: -287.399773 where: bonds (distance) C4'-P energy: -58.789 bonds (distance) P-C4' energy: -66.235 flat angles C4'-P-C4' energy: -65.904 flat angles P-C4'-P energy: -43.361 tors. eta vs tors. theta energy: -53.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -547.008072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.008072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.008072 (E_RNA) where: Base-Base interactions energy: -301.963 where: short stacking energy: -159.986 Base-Backbone interact. energy: -0.070 local terms energy: -244.974220 where: bonds (distance) C4'-P energy: -64.858 bonds (distance) P-C4' energy: -54.490 flat angles C4'-P-C4' energy: -61.598 flat angles P-C4'-P energy: -31.390 tors. eta vs tors. theta energy: -32.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -319.472177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.472177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.472177 (E_RNA) where: Base-Base interactions energy: -133.269 where: short stacking energy: -94.743 Base-Backbone interact. energy: 1.404 local terms energy: -187.607127 where: bonds (distance) C4'-P energy: -65.823 bonds (distance) P-C4' energy: -60.943 flat angles C4'-P-C4' energy: -44.138 flat angles P-C4'-P energy: -25.027 tors. eta vs tors. theta energy: 8.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -322.864965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.864965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.864965 (E_RNA) where: Base-Base interactions energy: -131.598 where: short stacking energy: -91.231 Base-Backbone interact. energy: -1.014 local terms energy: -190.252616 where: bonds (distance) C4'-P energy: -57.226 bonds (distance) P-C4' energy: -60.112 flat angles C4'-P-C4' energy: -51.490 flat angles P-C4'-P energy: -30.301 tors. eta vs tors. theta energy: 8.877 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: 297 Temperature: 0.900000 Total energy: -1150.756334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.756334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.756334 (E_RNA) where: Base-Base interactions energy: -775.219 where: short stacking energy: -338.701 Base-Backbone interact. energy: -1.634 local terms energy: -373.902476 where: bonds (distance) C4'-P energy: -71.228 bonds (distance) P-C4' energy: -72.661 flat angles C4'-P-C4' energy: -71.672 flat angles P-C4'-P energy: -54.897 tors. eta vs tors. theta energy: -103.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1135.718515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.718515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.718515 (E_RNA) where: Base-Base interactions energy: -776.332 where: short stacking energy: -348.233 Base-Backbone interact. energy: 1.030 local terms energy: -360.417423 where: bonds (distance) C4'-P energy: -65.921 bonds (distance) P-C4' energy: -65.643 flat angles C4'-P-C4' energy: -74.181 flat angles P-C4'-P energy: -49.402 tors. eta vs tors. theta energy: -105.270 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: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1079.894156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.894156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.894156 (E_RNA) where: Base-Base interactions energy: -717.788 where: short stacking energy: -331.795 Base-Backbone interact. energy: -1.296 local terms energy: -360.809413 where: bonds (distance) C4'-P energy: -63.983 bonds (distance) P-C4' energy: -69.719 flat angles C4'-P-C4' energy: -79.525 flat angles P-C4'-P energy: -47.603 tors. eta vs tors. theta energy: -99.980 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: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1006.645359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.645359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.645359 (E_RNA) where: Base-Base interactions energy: -667.040 where: short stacking energy: -311.383 Base-Backbone interact. energy: 1.225 local terms energy: -340.829773 where: bonds (distance) C4'-P energy: -56.072 bonds (distance) P-C4' energy: -75.040 flat angles C4'-P-C4' energy: -76.498 flat angles P-C4'-P energy: -45.058 tors. eta vs tors. theta energy: -88.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -970.617909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.617909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.617909 (E_RNA) where: Base-Base interactions energy: -638.882 where: short stacking energy: -301.048 Base-Backbone interact. energy: -0.416 local terms energy: -331.319931 where: bonds (distance) C4'-P energy: -62.387 bonds (distance) P-C4' energy: -65.866 flat angles C4'-P-C4' energy: -69.160 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: -85.461 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: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -841.555959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.555959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.555959 (E_RNA) where: Base-Base interactions energy: -549.479 where: short stacking energy: -273.976 Base-Backbone interact. energy: -0.440 local terms energy: -291.636649 where: bonds (distance) C4'-P energy: -64.656 bonds (distance) P-C4' energy: -56.326 flat angles C4'-P-C4' energy: -58.710 flat angles P-C4'-P energy: -36.673 tors. eta vs tors. theta energy: -75.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -660.024813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.024813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.024813 (E_RNA) where: Base-Base interactions energy: -388.717 where: short stacking energy: -199.593 Base-Backbone interact. energy: -0.516 local terms energy: -270.792119 where: bonds (distance) C4'-P energy: -65.739 bonds (distance) P-C4' energy: -51.098 flat angles C4'-P-C4' energy: -53.074 flat angles P-C4'-P energy: -43.185 tors. eta vs tors. theta energy: -57.696 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: 2 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -567.424018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.424018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.424018 (E_RNA) where: Base-Base interactions energy: -323.966 where: short stacking energy: -157.364 Base-Backbone interact. energy: -0.738 local terms energy: -242.720156 where: bonds (distance) C4'-P energy: -57.433 bonds (distance) P-C4' energy: -70.877 flat angles C4'-P-C4' energy: -55.822 flat angles P-C4'-P energy: -34.517 tors. eta vs tors. theta energy: -24.073 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: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -371.557775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.557775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.557775 (E_RNA) where: Base-Base interactions energy: -174.323 where: short stacking energy: -115.373 Base-Backbone interact. energy: 0.018 local terms energy: -197.252123 where: bonds (distance) C4'-P energy: -43.100 bonds (distance) P-C4' energy: -61.598 flat angles C4'-P-C4' energy: -56.230 flat angles P-C4'-P energy: -33.330 tors. eta vs tors. theta energy: -2.995 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: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -322.295926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.295926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.295926 (E_RNA) where: Base-Base interactions energy: -129.845 where: short stacking energy: -98.554 Base-Backbone interact. energy: 2.576 local terms energy: -195.026923 where: bonds (distance) C4'-P energy: -44.925 bonds (distance) P-C4' energy: -59.511 flat angles C4'-P-C4' energy: -55.594 flat angles P-C4'-P energy: -32.567 tors. eta vs tors. theta energy: -2.430 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: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1150.210976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.210976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.210976 (E_RNA) where: Base-Base interactions energy: -784.595 where: short stacking energy: -351.610 Base-Backbone interact. energy: -0.126 local terms energy: -365.489993 where: bonds (distance) C4'-P energy: -67.092 bonds (distance) P-C4' energy: -72.067 flat angles C4'-P-C4' energy: -73.241 flat angles P-C4'-P energy: -47.917 tors. eta vs tors. theta energy: -105.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1138.686940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.686940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.686940 (E_RNA) where: Base-Base interactions energy: -775.648 where: short stacking energy: -366.609 Base-Backbone interact. energy: -0.733 local terms energy: -362.305669 where: bonds (distance) C4'-P energy: -70.763 bonds (distance) P-C4' energy: -60.298 flat angles C4'-P-C4' energy: -77.394 flat angles P-C4'-P energy: -54.006 tors. eta vs tors. theta energy: -99.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1063.379945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.379945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.379945 (E_RNA) where: Base-Base interactions energy: -707.980 where: short stacking energy: -325.344 Base-Backbone interact. energy: -0.166 local terms energy: -355.233541 where: bonds (distance) C4'-P energy: -61.832 bonds (distance) P-C4' energy: -63.825 flat angles C4'-P-C4' energy: -82.160 flat angles P-C4'-P energy: -48.408 tors. eta vs tors. theta energy: -99.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -982.503443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.503443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.503443 (E_RNA) where: Base-Base interactions energy: -641.802 where: short stacking energy: -306.050 Base-Backbone interact. energy: -0.429 local terms energy: -340.272061 where: bonds (distance) C4'-P energy: -68.240 bonds (distance) P-C4' energy: -65.657 flat angles C4'-P-C4' energy: -68.388 flat angles P-C4'-P energy: -46.113 tors. eta vs tors. theta energy: -91.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -950.064052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.064052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.064052 (E_RNA) where: Base-Base interactions energy: -631.748 where: short stacking energy: -286.624 Base-Backbone interact. energy: 0.785 local terms energy: -319.100895 where: bonds (distance) C4'-P energy: -70.810 bonds (distance) P-C4' energy: -65.104 flat angles C4'-P-C4' energy: -71.973 flat angles P-C4'-P energy: -38.837 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: 6, replica: 9 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -846.983122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.983122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.983122 (E_RNA) where: Base-Base interactions energy: -540.388 where: short stacking energy: -248.407 Base-Backbone interact. energy: -0.506 local terms energy: -306.089770 where: bonds (distance) C4'-P energy: -58.812 bonds (distance) P-C4' energy: -59.268 flat angles C4'-P-C4' energy: -67.434 flat angles P-C4'-P energy: -50.117 tors. eta vs tors. theta energy: -70.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -640.624510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.624510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.624510 (E_RNA) where: Base-Base interactions energy: -372.916 where: short stacking energy: -206.969 Base-Backbone interact. energy: 0.077 local terms energy: -267.785453 where: bonds (distance) C4'-P energy: -67.575 bonds (distance) P-C4' energy: -60.061 flat angles C4'-P-C4' energy: -56.078 flat angles P-C4'-P energy: -39.998 tors. eta vs tors. theta energy: -44.074 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: 2 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -565.556757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.556757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.556757 (E_RNA) where: Base-Base interactions energy: -311.114 where: short stacking energy: -159.089 Base-Backbone interact. energy: 1.268 local terms energy: -255.710781 where: bonds (distance) C4'-P energy: -64.378 bonds (distance) P-C4' energy: -56.133 flat angles C4'-P-C4' energy: -56.621 flat angles P-C4'-P energy: -44.952 tors. eta vs tors. theta energy: -33.626 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: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -353.571830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.571830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.571830 (E_RNA) where: Base-Base interactions energy: -161.986 where: short stacking energy: -100.547 Base-Backbone interact. energy: 0.405 local terms energy: -191.990197 where: bonds (distance) C4'-P energy: -63.968 bonds (distance) P-C4' energy: -58.343 flat angles C4'-P-C4' energy: -44.318 flat angles P-C4'-P energy: -23.304 tors. eta vs tors. theta energy: -2.058 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: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -296.602750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.602750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.602750 (E_RNA) where: Base-Base interactions energy: -110.701 where: short stacking energy: -76.292 Base-Backbone interact. energy: 2.488 local terms energy: -188.389881 where: bonds (distance) C4'-P energy: -62.474 bonds (distance) P-C4' energy: -61.713 flat angles C4'-P-C4' energy: -42.120 flat angles P-C4'-P energy: -38.129 tors. eta vs tors. theta energy: 16.045 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: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1149.442171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.442171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.442171 (E_RNA) where: Base-Base interactions energy: -783.955 where: short stacking energy: -343.662 Base-Backbone interact. energy: -0.541 local terms energy: -364.946159 where: bonds (distance) C4'-P energy: -74.732 bonds (distance) P-C4' energy: -66.099 flat angles C4'-P-C4' energy: -80.410 flat angles P-C4'-P energy: -44.322 tors. eta vs tors. theta energy: -99.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1135.649612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.649612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.649612 (E_RNA) where: Base-Base interactions energy: -772.976 where: short stacking energy: -356.384 Base-Backbone interact. energy: -1.224 local terms energy: -361.449439 where: bonds (distance) C4'-P energy: -63.746 bonds (distance) P-C4' energy: -75.317 flat angles C4'-P-C4' energy: -74.911 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: -99.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1061.635200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.635200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.635200 (E_RNA) where: Base-Base interactions energy: -697.737 where: short stacking energy: -332.212 Base-Backbone interact. energy: 0.209 local terms energy: -364.106740 where: bonds (distance) C4'-P energy: -64.191 bonds (distance) P-C4' energy: -66.734 flat angles C4'-P-C4' energy: -77.788 flat angles P-C4'-P energy: -52.348 tors. eta vs tors. theta energy: -103.047 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: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -977.263693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.263693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.263693 (E_RNA) where: Base-Base interactions energy: -642.577 where: short stacking energy: -292.381 Base-Backbone interact. energy: -0.304 local terms energy: -334.383405 where: bonds (distance) C4'-P energy: -63.805 bonds (distance) P-C4' energy: -67.589 flat angles C4'-P-C4' energy: -75.484 flat angles P-C4'-P energy: -43.562 tors. eta vs tors. theta energy: -83.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -959.210988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.210988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.210988 (E_RNA) where: Base-Base interactions energy: -643.502 where: short stacking energy: -294.547 Base-Backbone interact. energy: -1.224 local terms energy: -314.485621 where: bonds (distance) C4'-P energy: -58.588 bonds (distance) P-C4' energy: -65.355 flat angles C4'-P-C4' energy: -63.956 flat angles P-C4'-P energy: -46.199 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: 6, replica: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -865.881929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.881929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.881929 (E_RNA) where: Base-Base interactions energy: -552.959 where: short stacking energy: -269.640 Base-Backbone interact. energy: -0.152 local terms energy: -312.770783 where: bonds (distance) C4'-P energy: -65.738 bonds (distance) P-C4' energy: -59.379 flat angles C4'-P-C4' energy: -60.983 flat angles P-C4'-P energy: -50.358 tors. eta vs tors. theta energy: -76.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -649.392407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.392407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.392407 (E_RNA) where: Base-Base interactions energy: -384.684 where: short stacking energy: -211.400 Base-Backbone interact. energy: 3.028 local terms energy: -267.736189 where: bonds (distance) C4'-P energy: -53.750 bonds (distance) P-C4' energy: -72.095 flat angles C4'-P-C4' energy: -50.136 flat angles P-C4'-P energy: -50.800 tors. eta vs tors. theta energy: -40.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -594.910957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.910957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.910957 (E_RNA) where: Base-Base interactions energy: -351.727 where: short stacking energy: -180.273 Base-Backbone interact. energy: -1.073 local terms energy: -242.110231 where: bonds (distance) C4'-P energy: -56.359 bonds (distance) P-C4' energy: -61.674 flat angles C4'-P-C4' energy: -50.091 flat angles P-C4'-P energy: -35.051 tors. eta vs tors. theta energy: -38.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -325.410032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.410032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.410032 (E_RNA) where: Base-Base interactions energy: -134.207 where: short stacking energy: -98.373 Base-Backbone interact. energy: 4.031 local terms energy: -195.234641 where: bonds (distance) C4'-P energy: -64.882 bonds (distance) P-C4' energy: -55.283 flat angles C4'-P-C4' energy: -52.547 flat angles P-C4'-P energy: -25.242 tors. eta vs tors. theta energy: 2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -279.412730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.412730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.412730 (E_RNA) where: Base-Base interactions energy: -102.529 where: short stacking energy: -73.746 Base-Backbone interact. energy: 5.583 local terms energy: -182.467275 where: bonds (distance) C4'-P energy: -61.387 bonds (distance) P-C4' energy: -56.458 flat angles C4'-P-C4' energy: -57.005 flat angles P-C4'-P energy: -19.752 tors. eta vs tors. theta energy: 12.136 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: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1147.879623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.879623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.879623 (E_RNA) where: Base-Base interactions energy: -763.627 where: short stacking energy: -358.425 Base-Backbone interact. energy: -1.623 local terms energy: -382.629624 where: bonds (distance) C4'-P energy: -71.663 bonds (distance) P-C4' energy: -69.775 flat angles C4'-P-C4' energy: -78.074 flat angles P-C4'-P energy: -51.860 tors. eta vs tors. theta energy: -111.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1107.379325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.379325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.379325 (E_RNA) where: Base-Base interactions energy: -750.508 where: short stacking energy: -360.043 Base-Backbone interact. energy: -2.342 local terms energy: -354.529799 where: bonds (distance) C4'-P energy: -70.110 bonds (distance) P-C4' energy: -51.507 flat angles C4'-P-C4' energy: -79.881 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -107.547 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: 3, replica: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1098.669333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.669333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.669333 (E_RNA) where: Base-Base interactions energy: -760.940 where: short stacking energy: -344.268 Base-Backbone interact. energy: 2.711 local terms energy: -340.439784 where: bonds (distance) C4'-P energy: -58.700 bonds (distance) P-C4' energy: -64.067 flat angles C4'-P-C4' energy: -77.596 flat angles P-C4'-P energy: -43.749 tors. eta vs tors. theta energy: -96.328 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: 300 Temperature: 1.050000 Total energy: -981.021276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.021276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.021276 (E_RNA) where: Base-Base interactions energy: -656.878 where: short stacking energy: -311.485 Base-Backbone interact. energy: -0.494 local terms energy: -323.649147 where: bonds (distance) C4'-P energy: -54.768 bonds (distance) P-C4' energy: -58.937 flat angles C4'-P-C4' energy: -71.377 flat angles P-C4'-P energy: -49.157 tors. eta vs tors. theta energy: -89.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -943.220280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.220280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.220280 (E_RNA) where: Base-Base interactions energy: -630.815 where: short stacking energy: -274.355 Base-Backbone interact. energy: -0.737 local terms energy: -311.668191 where: bonds (distance) C4'-P energy: -62.256 bonds (distance) P-C4' energy: -65.658 flat angles C4'-P-C4' energy: -68.936 flat angles P-C4'-P energy: -46.582 tors. eta vs tors. theta energy: -68.237 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: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -814.111458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.111458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.111458 (E_RNA) where: Base-Base interactions energy: -521.444 where: short stacking energy: -247.024 Base-Backbone interact. energy: -1.276 local terms energy: -291.391607 where: bonds (distance) C4'-P energy: -55.272 bonds (distance) P-C4' energy: -67.079 flat angles C4'-P-C4' energy: -64.982 flat angles P-C4'-P energy: -46.818 tors. eta vs tors. theta energy: -57.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -674.569499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.569499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.569499 (E_RNA) where: Base-Base interactions energy: -380.437 where: short stacking energy: -203.139 Base-Backbone interact. energy: -1.332 local terms energy: -292.800276 where: bonds (distance) C4'-P energy: -57.363 bonds (distance) P-C4' energy: -59.610 flat angles C4'-P-C4' energy: -68.560 flat angles P-C4'-P energy: -51.619 tors. eta vs tors. theta energy: -55.648 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: 2 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -577.250655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.250655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.250655 (E_RNA) where: Base-Base interactions energy: -360.081 where: short stacking energy: -172.790 Base-Backbone interact. energy: -0.658 local terms energy: -216.512009 where: bonds (distance) C4'-P energy: -33.471 bonds (distance) P-C4' energy: -60.104 flat angles C4'-P-C4' energy: -49.752 flat angles P-C4'-P energy: -46.809 tors. eta vs tors. theta energy: -26.376 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: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -313.592070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.592070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.592070 (E_RNA) where: Base-Base interactions energy: -115.263 where: short stacking energy: -91.432 Base-Backbone interact. energy: -0.673 local terms energy: -197.656055 where: bonds (distance) C4'-P energy: -61.138 bonds (distance) P-C4' energy: -60.496 flat angles C4'-P-C4' energy: -34.389 flat angles P-C4'-P energy: -40.473 tors. eta vs tors. theta energy: -1.160 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: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -279.581165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.581165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.581165 (E_RNA) where: Base-Base interactions energy: -88.721 where: short stacking energy: -79.286 Base-Backbone interact. energy: 0.117 local terms energy: -190.977209 where: bonds (distance) C4'-P energy: -61.870 bonds (distance) P-C4' energy: -63.141 flat angles C4'-P-C4' energy: -52.459 flat angles P-C4'-P energy: -27.994 tors. eta vs tors. theta energy: 14.486 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: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1156.726373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.726373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.726373 (E_RNA) where: Base-Base interactions energy: -786.381 where: short stacking energy: -360.699 Base-Backbone interact. energy: -0.998 local terms energy: -369.347154 where: bonds (distance) C4'-P energy: -61.363 bonds (distance) P-C4' energy: -75.351 flat angles C4'-P-C4' energy: -76.479 flat angles P-C4'-P energy: -50.001 tors. eta vs tors. theta energy: -106.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1122.529363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.529363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.529363 (E_RNA) where: Base-Base interactions energy: -751.679 where: short stacking energy: -341.054 Base-Backbone interact. energy: -0.519 local terms energy: -370.332223 where: bonds (distance) C4'-P energy: -73.564 bonds (distance) P-C4' energy: -63.468 flat angles C4'-P-C4' energy: -77.963 flat angles P-C4'-P energy: -52.267 tors. eta vs tors. theta energy: -103.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1085.878206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.878206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.878206 (E_RNA) where: Base-Base interactions energy: -766.453 where: short stacking energy: -340.241 Base-Backbone interact. energy: -1.160 local terms energy: -318.265652 where: bonds (distance) C4'-P energy: -71.397 bonds (distance) P-C4' energy: -55.140 flat angles C4'-P-C4' energy: -61.141 flat angles P-C4'-P energy: -36.261 tors. eta vs tors. theta energy: -94.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -977.945419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.945419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.945419 (E_RNA) where: Base-Base interactions energy: -653.102 where: short stacking energy: -304.584 Base-Backbone interact. energy: -0.375 local terms energy: -324.468221 where: bonds (distance) C4'-P energy: -56.880 bonds (distance) P-C4' energy: -71.340 flat angles C4'-P-C4' energy: -69.066 flat angles P-C4'-P energy: -43.975 tors. eta vs tors. theta energy: -83.207 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: 5, replica: 5 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -939.308830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.308830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.308830 (E_RNA) where: Base-Base interactions energy: -615.014 where: short stacking energy: -296.205 Base-Backbone interact. energy: -1.663 local terms energy: -322.631458 where: bonds (distance) C4'-P energy: -57.643 bonds (distance) P-C4' energy: -58.454 flat angles C4'-P-C4' energy: -77.884 flat angles P-C4'-P energy: -44.031 tors. eta vs tors. theta energy: -84.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -865.567245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.567245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.567245 (E_RNA) where: Base-Base interactions energy: -572.541 where: short stacking energy: -245.065 Base-Backbone interact. energy: -0.807 local terms energy: -292.219931 where: bonds (distance) C4'-P energy: -64.579 bonds (distance) P-C4' energy: -74.781 flat angles C4'-P-C4' energy: -68.352 flat angles P-C4'-P energy: -31.569 tors. eta vs tors. theta energy: -52.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -668.851407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.851407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.851407 (E_RNA) where: Base-Base interactions energy: -394.217 where: short stacking energy: -206.626 Base-Backbone interact. energy: -0.807 local terms energy: -273.827432 where: bonds (distance) C4'-P energy: -57.798 bonds (distance) P-C4' energy: -63.975 flat angles C4'-P-C4' energy: -55.273 flat angles P-C4'-P energy: -41.964 tors. eta vs tors. theta energy: -54.818 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: 2 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -627.854298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.854298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.854298 (E_RNA) where: Base-Base interactions energy: -369.323 where: short stacking energy: -174.249 Base-Backbone interact. energy: -0.311 local terms energy: -258.220470 where: bonds (distance) C4'-P energy: -62.735 bonds (distance) P-C4' energy: -61.056 flat angles C4'-P-C4' energy: -63.666 flat angles P-C4'-P energy: -40.651 tors. eta vs tors. theta energy: -30.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -333.783882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.783882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.783882 (E_RNA) where: Base-Base interactions energy: -127.526 where: short stacking energy: -118.322 Base-Backbone interact. energy: -0.724 local terms energy: -205.533498 where: bonds (distance) C4'-P energy: -61.351 bonds (distance) P-C4' energy: -52.792 flat angles C4'-P-C4' energy: -43.266 flat angles P-C4'-P energy: -38.556 tors. eta vs tors. theta energy: -9.569 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: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -286.404259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.404259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.404259 (E_RNA) where: Base-Base interactions energy: -105.911 where: short stacking energy: -101.644 Base-Backbone interact. energy: 0.170 local terms energy: -180.663359 where: bonds (distance) C4'-P energy: -53.361 bonds (distance) P-C4' energy: -59.081 flat angles C4'-P-C4' energy: -38.053 flat angles P-C4'-P energy: -34.466 tors. eta vs tors. theta energy: 4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1163.592275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.592275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.592275 (E_RNA) where: Base-Base interactions energy: -799.075 where: short stacking energy: -373.928 Base-Backbone interact. energy: 0.426 local terms energy: -364.943353 where: bonds (distance) C4'-P energy: -59.026 bonds (distance) P-C4' energy: -65.439 flat angles C4'-P-C4' energy: -82.271 flat angles P-C4'-P energy: -46.296 tors. eta vs tors. theta energy: -111.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1128.467239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.467239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.467239 (E_RNA) where: Base-Base interactions energy: -772.249 where: short stacking energy: -349.544 Base-Backbone interact. energy: -1.185 local terms energy: -355.033429 where: bonds (distance) C4'-P energy: -56.841 bonds (distance) P-C4' energy: -68.209 flat angles C4'-P-C4' energy: -80.970 flat angles P-C4'-P energy: -41.074 tors. eta vs tors. theta energy: -107.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1076.635197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.635197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.635197 (E_RNA) where: Base-Base interactions energy: -724.043 where: short stacking energy: -338.868 Base-Backbone interact. energy: -2.675 local terms energy: -349.916942 where: bonds (distance) C4'-P energy: -59.180 bonds (distance) P-C4' energy: -72.936 flat angles C4'-P-C4' energy: -69.943 flat angles P-C4'-P energy: -47.130 tors. eta vs tors. theta energy: -100.728 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: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1003.233718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.233718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.233718 (E_RNA) where: Base-Base interactions energy: -665.291 where: short stacking energy: -300.139 Base-Backbone interact. energy: 0.731 local terms energy: -338.673342 where: bonds (distance) C4'-P energy: -57.927 bonds (distance) P-C4' energy: -67.532 flat angles C4'-P-C4' energy: -78.788 flat angles P-C4'-P energy: -55.843 tors. eta vs tors. theta energy: -78.585 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: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -977.855240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.855240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.855240 (E_RNA) where: Base-Base interactions energy: -662.738 where: short stacking energy: -296.946 Base-Backbone interact. energy: -1.862 local terms energy: -313.255762 where: bonds (distance) C4'-P energy: -62.367 bonds (distance) P-C4' energy: -49.298 flat angles C4'-P-C4' energy: -73.225 flat angles P-C4'-P energy: -50.604 tors. eta vs tors. theta energy: -77.762 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: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -853.092889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.092889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.092889 (E_RNA) where: Base-Base interactions energy: -564.968 where: short stacking energy: -267.680 Base-Backbone interact. energy: 1.136 local terms energy: -289.261221 where: bonds (distance) C4'-P energy: -65.799 bonds (distance) P-C4' energy: -59.591 flat angles C4'-P-C4' energy: -68.656 flat angles P-C4'-P energy: -34.069 tors. eta vs tors. theta energy: -61.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -678.970039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.970039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.970039 (E_RNA) where: Base-Base interactions energy: -417.742 where: short stacking energy: -225.875 Base-Backbone interact. energy: 1.161 local terms energy: -262.388231 where: bonds (distance) C4'-P energy: -56.873 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -56.897 flat angles P-C4'-P energy: -29.360 tors. eta vs tors. theta energy: -61.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -657.444558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.444558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.444558 (E_RNA) where: Base-Base interactions energy: -402.581 where: short stacking energy: -180.513 Base-Backbone interact. energy: 2.506 local terms energy: -257.368940 where: bonds (distance) C4'-P energy: -56.804 bonds (distance) P-C4' energy: -64.060 flat angles C4'-P-C4' energy: -59.068 flat angles P-C4'-P energy: -38.760 tors. eta vs tors. theta energy: -38.676 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: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -313.519499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.519499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.519499 (E_RNA) where: Base-Base interactions energy: -118.037 where: short stacking energy: -96.269 Base-Backbone interact. energy: 0.688 local terms energy: -196.169926 where: bonds (distance) C4'-P energy: -65.767 bonds (distance) P-C4' energy: -55.203 flat angles C4'-P-C4' energy: -42.745 flat angles P-C4'-P energy: -30.373 tors. eta vs tors. theta energy: -2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -289.563281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.563281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.563281 (E_RNA) where: Base-Base interactions energy: -99.619 where: short stacking energy: -88.433 Base-Backbone interact. energy: 3.753 local terms energy: -193.697628 where: bonds (distance) C4'-P energy: -67.645 bonds (distance) P-C4' energy: -58.109 flat angles C4'-P-C4' energy: -55.267 flat angles P-C4'-P energy: -20.750 tors. eta vs tors. theta energy: 8.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1168.821259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.821259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.821259 (E_RNA) where: Base-Base interactions energy: -812.251 where: short stacking energy: -382.949 Base-Backbone interact. energy: 1.332 local terms energy: -357.902804 where: bonds (distance) C4'-P energy: -56.593 bonds (distance) P-C4' energy: -61.153 flat angles C4'-P-C4' energy: -80.916 flat angles P-C4'-P energy: -49.975 tors. eta vs tors. theta energy: -109.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1154.342648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.342648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.342648 (E_RNA) where: Base-Base interactions energy: -780.931 where: short stacking energy: -358.902 Base-Backbone interact. energy: -1.638 local terms energy: -371.773362 where: bonds (distance) C4'-P energy: -59.676 bonds (distance) P-C4' energy: -68.645 flat angles C4'-P-C4' energy: -78.837 flat angles P-C4'-P energy: -54.786 tors. eta vs tors. theta energy: -109.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1049.486440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.486440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.486440 (E_RNA) where: Base-Base interactions energy: -704.091 where: short stacking energy: -306.989 Base-Backbone interact. energy: 2.955 local terms energy: -348.350990 where: bonds (distance) C4'-P energy: -67.688 bonds (distance) P-C4' energy: -68.165 flat angles C4'-P-C4' energy: -81.012 flat angles P-C4'-P energy: -44.702 tors. eta vs tors. theta energy: -86.784 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: 4 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1005.475708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.475708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.475708 (E_RNA) where: Base-Base interactions energy: -687.543 where: short stacking energy: -320.818 Base-Backbone interact. energy: -0.615 local terms energy: -317.317584 where: bonds (distance) C4'-P energy: -63.391 bonds (distance) P-C4' energy: -66.386 flat angles C4'-P-C4' energy: -66.341 flat angles P-C4'-P energy: -42.009 tors. eta vs tors. theta energy: -79.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -966.825181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.825181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.825181 (E_RNA) where: Base-Base interactions energy: -664.664 where: short stacking energy: -314.607 Base-Backbone interact. energy: -0.362 local terms energy: -301.799897 where: bonds (distance) C4'-P energy: -52.243 bonds (distance) P-C4' energy: -48.738 flat angles C4'-P-C4' energy: -67.698 flat angles P-C4'-P energy: -49.571 tors. eta vs tors. theta energy: -83.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -845.271636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.271636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.271636 (E_RNA) where: Base-Base interactions energy: -555.917 where: short stacking energy: -262.987 Base-Backbone interact. energy: 2.733 local terms energy: -292.087936 where: bonds (distance) C4'-P energy: -53.523 bonds (distance) P-C4' energy: -62.842 flat angles C4'-P-C4' energy: -60.903 flat angles P-C4'-P energy: -49.202 tors. eta vs tors. theta energy: -65.619 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: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -706.000530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.000530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.000530 (E_RNA) where: Base-Base interactions energy: -434.548 where: short stacking energy: -225.278 Base-Backbone interact. energy: 1.755 local terms energy: -273.207238 where: bonds (distance) C4'-P energy: -63.571 bonds (distance) P-C4' energy: -56.870 flat angles C4'-P-C4' energy: -63.339 flat angles P-C4'-P energy: -39.998 tors. eta vs tors. theta energy: -49.430 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: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -649.456489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.456489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.456489 (E_RNA) where: Base-Base interactions energy: -410.846 where: short stacking energy: -191.997 Base-Backbone interact. energy: -0.856 local terms energy: -237.754471 where: bonds (distance) C4'-P energy: -58.529 bonds (distance) P-C4' energy: -49.454 flat angles C4'-P-C4' energy: -58.473 flat angles P-C4'-P energy: -39.702 tors. eta vs tors. theta energy: -31.596 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: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -315.298096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.298096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.298096 (E_RNA) where: Base-Base interactions energy: -110.713 where: short stacking energy: -109.219 Base-Backbone interact. energy: -2.932 local terms energy: -201.653074 where: bonds (distance) C4'-P energy: -48.218 bonds (distance) P-C4' energy: -73.626 flat angles C4'-P-C4' energy: -50.964 flat angles P-C4'-P energy: -36.594 tors. eta vs tors. theta energy: 7.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -303.490930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.490930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.490930 (E_RNA) where: Base-Base interactions energy: -119.442 where: short stacking energy: -96.671 Base-Backbone interact. energy: -0.448 local terms energy: -183.601316 where: bonds (distance) C4'-P energy: -54.216 bonds (distance) P-C4' energy: -68.900 flat angles C4'-P-C4' energy: -41.658 flat angles P-C4'-P energy: -13.461 tors. eta vs tors. theta energy: -5.366 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: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1167.797765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.797765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.797765 (E_RNA) where: Base-Base interactions energy: -786.926 where: short stacking energy: -365.818 Base-Backbone interact. energy: -1.680 local terms energy: -379.191666 where: bonds (distance) C4'-P energy: -72.615 bonds (distance) P-C4' energy: -73.657 flat angles C4'-P-C4' energy: -74.970 flat angles P-C4'-P energy: -53.324 tors. eta vs tors. theta energy: -104.625 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: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1124.376897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.376897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.376897 (E_RNA) where: Base-Base interactions energy: -763.232 where: short stacking energy: -344.276 Base-Backbone interact. energy: -0.996 local terms energy: -360.148181 where: bonds (distance) C4'-P energy: -60.486 bonds (distance) P-C4' energy: -68.110 flat angles C4'-P-C4' energy: -80.489 flat angles P-C4'-P energy: -47.796 tors. eta vs tors. theta energy: -103.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1061.299436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.299436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.299436 (E_RNA) where: Base-Base interactions energy: -712.866 where: short stacking energy: -324.285 Base-Backbone interact. energy: 0.178 local terms energy: -348.611400 where: bonds (distance) C4'-P energy: -69.690 bonds (distance) P-C4' energy: -64.908 flat angles C4'-P-C4' energy: -74.330 flat angles P-C4'-P energy: -50.128 tors. eta vs tors. theta energy: -89.555 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: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -998.775510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.775510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.775510 (E_RNA) where: Base-Base interactions energy: -669.539 where: short stacking energy: -317.092 Base-Backbone interact. energy: -2.378 local terms energy: -326.858698 where: bonds (distance) C4'-P energy: -49.768 bonds (distance) P-C4' energy: -67.894 flat angles C4'-P-C4' energy: -81.697 flat angles P-C4'-P energy: -42.826 tors. eta vs tors. theta energy: -84.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -946.045882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.045882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.045882 (E_RNA) where: Base-Base interactions energy: -641.284 where: short stacking energy: -292.876 Base-Backbone interact. energy: -2.074 local terms energy: -302.687659 where: bonds (distance) C4'-P energy: -63.315 bonds (distance) P-C4' energy: -54.875 flat angles C4'-P-C4' energy: -67.239 flat angles P-C4'-P energy: -40.453 tors. eta vs tors. theta energy: -76.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -839.243048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.243048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.243048 (E_RNA) where: Base-Base interactions energy: -544.720 where: short stacking energy: -247.666 Base-Backbone interact. energy: 0.675 local terms energy: -295.197190 where: bonds (distance) C4'-P energy: -63.707 bonds (distance) P-C4' energy: -59.477 flat angles C4'-P-C4' energy: -62.546 flat angles P-C4'-P energy: -48.304 tors. eta vs tors. theta energy: -61.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -696.692239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.692239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.692239 (E_RNA) where: Base-Base interactions energy: -409.029 where: short stacking energy: -217.357 Base-Backbone interact. energy: 0.150 local terms energy: -287.813105 where: bonds (distance) C4'-P energy: -70.320 bonds (distance) P-C4' energy: -56.563 flat angles C4'-P-C4' energy: -67.151 flat angles P-C4'-P energy: -42.028 tors. eta vs tors. theta energy: -51.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -611.323750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.323750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.323750 (E_RNA) where: Base-Base interactions energy: -353.206 where: short stacking energy: -185.894 Base-Backbone interact. energy: -2.741 local terms energy: -255.376035 where: bonds (distance) C4'-P energy: -46.527 bonds (distance) P-C4' energy: -65.432 flat angles C4'-P-C4' energy: -57.771 flat angles P-C4'-P energy: -38.612 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: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -311.195340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.195340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.195340 (E_RNA) where: Base-Base interactions energy: -121.103 where: short stacking energy: -75.189 Base-Backbone interact. energy: -1.497 local terms energy: -188.595989 where: bonds (distance) C4'-P energy: -65.348 bonds (distance) P-C4' energy: -65.894 flat angles C4'-P-C4' energy: -43.448 flat angles P-C4'-P energy: -25.861 tors. eta vs tors. theta energy: 11.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -311.586196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.586196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.586196 (E_RNA) where: Base-Base interactions energy: -99.107 where: short stacking energy: -87.338 Base-Backbone interact. energy: -0.198 local terms energy: -212.281688 where: bonds (distance) C4'-P energy: -59.916 bonds (distance) P-C4' energy: -61.719 flat angles C4'-P-C4' energy: -53.684 flat angles P-C4'-P energy: -38.650 tors. eta vs tors. theta energy: 1.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1151.737982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.737982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.737982 (E_RNA) where: Base-Base interactions energy: -765.560 where: short stacking energy: -356.983 Base-Backbone interact. energy: -2.224 local terms energy: -383.953624 where: bonds (distance) C4'-P energy: -71.894 bonds (distance) P-C4' energy: -70.271 flat angles C4'-P-C4' energy: -81.955 flat angles P-C4'-P energy: -56.729 tors. eta vs tors. theta energy: -103.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1152.505396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.505396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.505396 (E_RNA) where: Base-Base interactions energy: -788.286 where: short stacking energy: -363.891 Base-Backbone interact. energy: 0.319 local terms energy: -364.538685 where: bonds (distance) C4'-P energy: -65.702 bonds (distance) P-C4' energy: -68.200 flat angles C4'-P-C4' energy: -74.404 flat angles P-C4'-P energy: -52.690 tors. eta vs tors. theta energy: -103.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1041.548903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.548903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.548903 (E_RNA) where: Base-Base interactions energy: -703.618 where: short stacking energy: -328.970 Base-Backbone interact. energy: -0.466 local terms energy: -337.465411 where: bonds (distance) C4'-P energy: -58.879 bonds (distance) P-C4' energy: -66.836 flat angles C4'-P-C4' energy: -74.756 flat angles P-C4'-P energy: -45.164 tors. eta vs tors. theta energy: -91.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -995.759978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.759978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.759978 (E_RNA) where: Base-Base interactions energy: -666.352 where: short stacking energy: -314.626 Base-Backbone interact. energy: -0.791 local terms energy: -328.616554 where: bonds (distance) C4'-P energy: -62.816 bonds (distance) P-C4' energy: -60.633 flat angles C4'-P-C4' energy: -71.451 flat angles P-C4'-P energy: -50.348 tors. eta vs tors. theta energy: -83.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -974.792976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.792976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.792976 (E_RNA) where: Base-Base interactions energy: -652.007 where: short stacking energy: -300.854 Base-Backbone interact. energy: -0.992 local terms energy: -321.793918 where: bonds (distance) C4'-P energy: -56.094 bonds (distance) P-C4' energy: -66.683 flat angles C4'-P-C4' energy: -68.736 flat angles P-C4'-P energy: -39.737 tors. eta vs tors. theta energy: -90.543 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: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -809.480758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.480758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.480758 (E_RNA) where: Base-Base interactions energy: -514.329 where: short stacking energy: -246.835 Base-Backbone interact. energy: 0.107 local terms energy: -295.258039 where: bonds (distance) C4'-P energy: -67.134 bonds (distance) P-C4' energy: -59.106 flat angles C4'-P-C4' energy: -65.840 flat angles P-C4'-P energy: -46.560 tors. eta vs tors. theta energy: -56.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -688.520215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.520215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.520215 (E_RNA) where: Base-Base interactions energy: -421.716 where: short stacking energy: -230.246 Base-Backbone interact. energy: 0.017 local terms energy: -266.821184 where: bonds (distance) C4'-P energy: -60.123 bonds (distance) P-C4' energy: -61.350 flat angles C4'-P-C4' energy: -56.330 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -47.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -590.411601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.411601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.411601 (E_RNA) where: Base-Base interactions energy: -343.256 where: short stacking energy: -184.128 Base-Backbone interact. energy: -0.975 local terms energy: -246.179639 where: bonds (distance) C4'-P energy: -60.565 bonds (distance) P-C4' energy: -43.856 flat angles C4'-P-C4' energy: -65.269 flat angles P-C4'-P energy: -33.061 tors. eta vs tors. theta energy: -43.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -313.510628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.510628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.510628 (E_RNA) where: Base-Base interactions energy: -104.326 where: short stacking energy: -95.942 Base-Backbone interact. energy: 3.402 local terms energy: -212.586073 where: bonds (distance) C4'-P energy: -57.305 bonds (distance) P-C4' energy: -71.243 flat angles C4'-P-C4' energy: -56.459 flat angles P-C4'-P energy: -34.406 tors. eta vs tors. theta energy: 6.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -289.546100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.546100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.546100 (E_RNA) where: Base-Base interactions energy: -92.492 where: short stacking energy: -70.496 Base-Backbone interact. energy: -0.226 local terms energy: -196.827606 where: bonds (distance) C4'-P energy: -57.669 bonds (distance) P-C4' energy: -60.998 flat angles C4'-P-C4' energy: -48.569 flat angles P-C4'-P energy: -29.604 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: 1, replica: 1 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1174.874994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.874994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.874994 (E_RNA) where: Base-Base interactions energy: -804.393 where: short stacking energy: -376.164 Base-Backbone interact. energy: -0.216 local terms energy: -370.265337 where: bonds (distance) C4'-P energy: -66.741 bonds (distance) P-C4' energy: -63.507 flat angles C4'-P-C4' energy: -81.325 flat angles P-C4'-P energy: -55.631 tors. eta vs tors. theta energy: -103.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1135.173719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.173719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.173719 (E_RNA) where: Base-Base interactions energy: -766.525 where: short stacking energy: -359.961 Base-Backbone interact. energy: -1.987 local terms energy: -366.662235 where: bonds (distance) C4'-P energy: -63.560 bonds (distance) P-C4' energy: -64.389 flat angles C4'-P-C4' energy: -84.441 flat angles P-C4'-P energy: -47.748 tors. eta vs tors. theta energy: -106.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1038.633401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.633401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.633401 (E_RNA) where: Base-Base interactions energy: -720.668 where: short stacking energy: -311.377 Base-Backbone interact. energy: 4.077 local terms energy: -322.042707 where: bonds (distance) C4'-P energy: -58.153 bonds (distance) P-C4' energy: -64.840 flat angles C4'-P-C4' energy: -69.424 flat angles P-C4'-P energy: -50.529 tors. eta vs tors. theta energy: -79.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1006.653910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.653910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.653910 (E_RNA) where: Base-Base interactions energy: -675.799 where: short stacking energy: -328.016 Base-Backbone interact. energy: -1.498 local terms energy: -329.356366 where: bonds (distance) C4'-P energy: -59.807 bonds (distance) P-C4' energy: -62.774 flat angles C4'-P-C4' energy: -67.599 flat angles P-C4'-P energy: -54.389 tors. eta vs tors. theta energy: -84.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -972.178834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.178834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.178834 (E_RNA) where: Base-Base interactions energy: -641.145 where: short stacking energy: -301.999 Base-Backbone interact. energy: -1.414 local terms energy: -329.619467 where: bonds (distance) C4'-P energy: -53.227 bonds (distance) P-C4' energy: -63.506 flat angles C4'-P-C4' energy: -77.906 flat angles P-C4'-P energy: -49.976 tors. eta vs tors. theta energy: -85.005 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: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -819.493805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.493805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.493805 (E_RNA) where: Base-Base interactions energy: -548.645 where: short stacking energy: -272.795 Base-Backbone interact. energy: 2.920 local terms energy: -273.768639 where: bonds (distance) C4'-P energy: -57.936 bonds (distance) P-C4' energy: -54.559 flat angles C4'-P-C4' energy: -69.078 flat angles P-C4'-P energy: -25.217 tors. eta vs tors. theta energy: -66.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -678.844292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.844292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.844292 (E_RNA) where: Base-Base interactions energy: -427.589 where: short stacking energy: -212.590 Base-Backbone interact. energy: -3.296 local terms energy: -247.959459 where: bonds (distance) C4'-P energy: -56.797 bonds (distance) P-C4' energy: -54.129 flat angles C4'-P-C4' energy: -63.979 flat angles P-C4'-P energy: -28.211 tors. eta vs tors. theta energy: -44.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -613.333158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.333158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.333158 (E_RNA) where: Base-Base interactions energy: -358.736 where: short stacking energy: -170.725 Base-Backbone interact. energy: -1.930 local terms energy: -252.667379 where: bonds (distance) C4'-P energy: -57.391 bonds (distance) P-C4' energy: -70.368 flat angles C4'-P-C4' energy: -61.101 flat angles P-C4'-P energy: -34.247 tors. eta vs tors. theta energy: -29.561 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: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -361.409400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.409400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.409400 (E_RNA) where: Base-Base interactions energy: -205.269 where: short stacking energy: -130.994 Base-Backbone interact. energy: 1.356 local terms energy: -157.497196 where: bonds (distance) C4'-P energy: -46.981 bonds (distance) P-C4' energy: -49.308 flat angles C4'-P-C4' energy: -26.979 flat angles P-C4'-P energy: -29.241 tors. eta vs tors. theta energy: -4.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -321.685014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.685014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.685014 (E_RNA) where: Base-Base interactions energy: -143.072 where: short stacking energy: -99.929 Base-Backbone interact. energy: 2.170 local terms energy: -180.783071 where: bonds (distance) C4'-P energy: -45.714 bonds (distance) P-C4' energy: -46.214 flat angles C4'-P-C4' energy: -51.850 flat angles P-C4'-P energy: -32.367 tors. eta vs tors. theta energy: -4.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1168.963488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.963488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.963488 (E_RNA) where: Base-Base interactions energy: -780.925 where: short stacking energy: -361.944 Base-Backbone interact. energy: -0.428 local terms energy: -387.611145 where: bonds (distance) C4'-P energy: -69.894 bonds (distance) P-C4' energy: -74.466 flat angles C4'-P-C4' energy: -79.731 flat angles P-C4'-P energy: -61.532 tors. eta vs tors. theta energy: -101.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1131.663355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.663355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.663355 (E_RNA) where: Base-Base interactions energy: -765.378 where: short stacking energy: -357.649 Base-Backbone interact. energy: 2.303 local terms energy: -368.588344 where: bonds (distance) C4'-P energy: -63.632 bonds (distance) P-C4' energy: -63.833 flat angles C4'-P-C4' energy: -79.680 flat angles P-C4'-P energy: -57.975 tors. eta vs tors. theta energy: -103.469 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: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1079.551376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.551376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.551376 (E_RNA) where: Base-Base interactions energy: -726.528 where: short stacking energy: -343.582 Base-Backbone interact. energy: -0.938 local terms energy: -352.085375 where: bonds (distance) C4'-P energy: -68.008 bonds (distance) P-C4' energy: -66.287 flat angles C4'-P-C4' energy: -68.514 flat angles P-C4'-P energy: -46.273 tors. eta vs tors. theta energy: -103.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -990.107795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.107795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.107795 (E_RNA) where: Base-Base interactions energy: -648.221 where: short stacking energy: -313.756 Base-Backbone interact. energy: -1.152 local terms energy: -340.735007 where: bonds (distance) C4'-P energy: -65.807 bonds (distance) P-C4' energy: -71.320 flat angles C4'-P-C4' energy: -74.882 flat angles P-C4'-P energy: -44.821 tors. eta vs tors. theta energy: -83.905 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: 5 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -951.805082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.805082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.805082 (E_RNA) where: Base-Base interactions energy: -633.408 where: short stacking energy: -287.158 Base-Backbone interact. energy: -0.556 local terms energy: -317.841195 where: bonds (distance) C4'-P energy: -67.041 bonds (distance) P-C4' energy: -67.131 flat angles C4'-P-C4' energy: -64.057 flat angles P-C4'-P energy: -41.205 tors. eta vs tors. theta energy: -78.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -881.720881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.720881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.720881 (E_RNA) where: Base-Base interactions energy: -578.809 where: short stacking energy: -274.341 Base-Backbone interact. energy: 0.101 local terms energy: -303.012360 where: bonds (distance) C4'-P energy: -61.369 bonds (distance) P-C4' energy: -63.184 flat angles C4'-P-C4' energy: -59.898 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: -73.385 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: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -660.633193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.633193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.633193 (E_RNA) where: Base-Base interactions energy: -392.935 where: short stacking energy: -194.166 Base-Backbone interact. energy: -1.492 local terms energy: -266.207052 where: bonds (distance) C4'-P energy: -60.780 bonds (distance) P-C4' energy: -56.728 flat angles C4'-P-C4' energy: -64.598 flat angles P-C4'-P energy: -45.180 tors. eta vs tors. theta energy: -38.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -570.414280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.414280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.414280 (E_RNA) where: Base-Base interactions energy: -349.464 where: short stacking energy: -161.478 Base-Backbone interact. energy: -0.859 local terms energy: -220.091651 where: bonds (distance) C4'-P energy: -48.923 bonds (distance) P-C4' energy: -57.608 flat angles C4'-P-C4' energy: -60.907 flat angles P-C4'-P energy: -33.678 tors. eta vs tors. theta energy: -18.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -380.481102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.481102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.481102 (E_RNA) where: Base-Base interactions energy: -184.162 where: short stacking energy: -118.745 Base-Backbone interact. energy: 0.052 local terms energy: -196.371283 where: bonds (distance) C4'-P energy: -58.565 bonds (distance) P-C4' energy: -56.738 flat angles C4'-P-C4' energy: -53.586 flat angles P-C4'-P energy: -21.252 tors. eta vs tors. theta energy: -6.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -303.929278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.929278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.929278 (E_RNA) where: Base-Base interactions energy: -119.502 where: short stacking energy: -95.335 Base-Backbone interact. energy: 1.305 local terms energy: -185.732114 where: bonds (distance) C4'-P energy: -45.811 bonds (distance) P-C4' energy: -60.239 flat angles C4'-P-C4' energy: -55.924 flat angles P-C4'-P energy: -20.793 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1189.579387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.579387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.579387 (E_RNA) where: Base-Base interactions energy: -799.983 where: short stacking energy: -366.543 Base-Backbone interact. energy: -1.242 local terms energy: -388.354557 where: bonds (distance) C4'-P energy: -72.038 bonds (distance) P-C4' energy: -66.592 flat angles C4'-P-C4' energy: -81.550 flat angles P-C4'-P energy: -59.977 tors. eta vs tors. theta energy: -108.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1132.482951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.482951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.482951 (E_RNA) where: Base-Base interactions energy: -759.509 where: short stacking energy: -345.308 Base-Backbone interact. energy: -3.033 local terms energy: -369.940625 where: bonds (distance) C4'-P energy: -68.298 bonds (distance) P-C4' energy: -75.758 flat angles C4'-P-C4' energy: -70.870 flat angles P-C4'-P energy: -57.059 tors. eta vs tors. theta energy: -97.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1075.950901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.950901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.950901 (E_RNA) where: Base-Base interactions energy: -716.581 where: short stacking energy: -337.040 Base-Backbone interact. energy: -1.495 local terms energy: -357.874309 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -66.301 flat angles C4'-P-C4' energy: -77.897 flat angles P-C4'-P energy: -46.312 tors. eta vs tors. theta energy: -101.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1016.115262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.115262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.115262 (E_RNA) where: Base-Base interactions energy: -676.454 where: short stacking energy: -320.410 Base-Backbone interact. energy: -0.214 local terms energy: -339.448087 where: bonds (distance) C4'-P energy: -60.702 bonds (distance) P-C4' energy: -64.174 flat angles C4'-P-C4' energy: -78.878 flat angles P-C4'-P energy: -47.007 tors. eta vs tors. theta energy: -88.686 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: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -896.254348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.254348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.254348 (E_RNA) where: Base-Base interactions energy: -580.899 where: short stacking energy: -275.493 Base-Backbone interact. energy: 1.318 local terms energy: -316.673042 where: bonds (distance) C4'-P energy: -63.176 bonds (distance) P-C4' energy: -66.791 flat angles C4'-P-C4' energy: -71.419 flat angles P-C4'-P energy: -38.967 tors. eta vs tors. theta energy: -76.320 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: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -828.473081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.473081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.473081 (E_RNA) where: Base-Base interactions energy: -552.137 where: short stacking energy: -265.030 Base-Backbone interact. energy: 5.021 local terms energy: -281.357531 where: bonds (distance) C4'-P energy: -55.594 bonds (distance) P-C4' energy: -66.553 flat angles C4'-P-C4' energy: -50.482 flat angles P-C4'-P energy: -44.841 tors. eta vs tors. theta energy: -63.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -666.921637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.921637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.921637 (E_RNA) where: Base-Base interactions energy: -396.421 where: short stacking energy: -203.120 Base-Backbone interact. energy: 0.388 local terms energy: -270.887946 where: bonds (distance) C4'-P energy: -59.015 bonds (distance) P-C4' energy: -71.627 flat angles C4'-P-C4' energy: -56.272 flat angles P-C4'-P energy: -39.723 tors. eta vs tors. theta energy: -44.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -607.395721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.395721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.395721 (E_RNA) where: Base-Base interactions energy: -385.623 where: short stacking energy: -181.238 Base-Backbone interact. energy: -0.415 local terms energy: -221.357761 where: bonds (distance) C4'-P energy: -55.701 bonds (distance) P-C4' energy: -64.848 flat angles C4'-P-C4' energy: -46.734 flat angles P-C4'-P energy: -21.851 tors. eta vs tors. theta energy: -32.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -291.604713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.604713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.604713 (E_RNA) where: Base-Base interactions energy: -113.700 where: short stacking energy: -98.458 Base-Backbone interact. energy: 5.265 local terms energy: -183.169537 where: bonds (distance) C4'-P energy: -54.991 bonds (distance) P-C4' energy: -54.167 flat angles C4'-P-C4' energy: -48.650 flat angles P-C4'-P energy: -35.980 tors. eta vs tors. theta energy: 10.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -417.200235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.200235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.200235 (E_RNA) where: Base-Base interactions energy: -208.936 where: short stacking energy: -127.619 Base-Backbone interact. energy: 1.643 local terms energy: -209.907164 where: bonds (distance) C4'-P energy: -55.038 bonds (distance) P-C4' energy: -71.720 flat angles C4'-P-C4' energy: -33.238 flat angles P-C4'-P energy: -32.868 tors. eta vs tors. theta energy: -17.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1205.626035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.626035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.626035 (E_RNA) where: Base-Base interactions energy: -818.989 where: short stacking energy: -397.930 Base-Backbone interact. energy: -0.634 local terms energy: -386.002431 where: bonds (distance) C4'-P energy: -64.810 bonds (distance) P-C4' energy: -67.036 flat angles C4'-P-C4' energy: -81.113 flat angles P-C4'-P energy: -53.284 tors. eta vs tors. theta energy: -119.758 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: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1126.661667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.661667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.661667 (E_RNA) where: Base-Base interactions energy: -761.727 where: short stacking energy: -333.030 Base-Backbone interact. energy: 0.212 local terms energy: -365.146222 where: bonds (distance) C4'-P energy: -73.941 bonds (distance) P-C4' energy: -63.685 flat angles C4'-P-C4' energy: -74.261 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -104.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1062.268260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.268260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.268260 (E_RNA) where: Base-Base interactions energy: -719.057 where: short stacking energy: -302.027 Base-Backbone interact. energy: 1.329 local terms energy: -344.539894 where: bonds (distance) C4'-P energy: -59.683 bonds (distance) P-C4' energy: -68.203 flat angles C4'-P-C4' energy: -78.627 flat angles P-C4'-P energy: -55.049 tors. eta vs tors. theta energy: -82.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1004.172817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.172817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.172817 (E_RNA) where: Base-Base interactions energy: -668.171 where: short stacking energy: -324.433 Base-Backbone interact. energy: -1.872 local terms energy: -334.130327 where: bonds (distance) C4'-P energy: -62.803 bonds (distance) P-C4' energy: -62.160 flat angles C4'-P-C4' energy: -67.637 flat angles P-C4'-P energy: -53.772 tors. eta vs tors. theta energy: -87.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -885.848500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.848500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.848500 (E_RNA) where: Base-Base interactions energy: -588.119 where: short stacking energy: -271.284 Base-Backbone interact. energy: -0.323 local terms energy: -297.406775 where: bonds (distance) C4'-P energy: -56.909 bonds (distance) P-C4' energy: -56.565 flat angles C4'-P-C4' energy: -69.392 flat angles P-C4'-P energy: -44.124 tors. eta vs tors. theta energy: -70.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -816.706578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.706578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.706578 (E_RNA) where: Base-Base interactions energy: -539.793 where: short stacking energy: -236.384 Base-Backbone interact. energy: -0.627 local terms energy: -276.287293 where: bonds (distance) C4'-P energy: -70.225 bonds (distance) P-C4' energy: -57.421 flat angles C4'-P-C4' energy: -52.846 flat angles P-C4'-P energy: -38.760 tors. eta vs tors. theta energy: -57.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -694.738420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.738420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.738420 (E_RNA) where: Base-Base interactions energy: -432.014 where: short stacking energy: -233.919 Base-Backbone interact. energy: -0.860 local terms energy: -261.864167 where: bonds (distance) C4'-P energy: -58.962 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -59.458 flat angles P-C4'-P energy: -29.477 tors. eta vs tors. theta energy: -50.985 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: 2 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -649.429712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.429712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.429712 (E_RNA) where: Base-Base interactions energy: -429.809 where: short stacking energy: -215.999 Base-Backbone interact. energy: 3.222 local terms energy: -222.842836 where: bonds (distance) C4'-P energy: -46.471 bonds (distance) P-C4' energy: -41.831 flat angles C4'-P-C4' energy: -53.846 flat angles P-C4'-P energy: -39.805 tors. eta vs tors. theta energy: -40.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -332.569370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.569370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.569370 (E_RNA) where: Base-Base interactions energy: -119.563 where: short stacking energy: -111.692 Base-Backbone interact. energy: -0.934 local terms energy: -212.072455 where: bonds (distance) C4'-P energy: -64.283 bonds (distance) P-C4' energy: -57.136 flat angles C4'-P-C4' energy: -40.440 flat angles P-C4'-P energy: -29.606 tors. eta vs tors. theta energy: -20.607 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: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -321.092754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.092754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.092754 (E_RNA) where: Base-Base interactions energy: -127.631 where: short stacking energy: -96.355 Base-Backbone interact. energy: -1.082 local terms energy: -192.379929 where: bonds (distance) C4'-P energy: -57.493 bonds (distance) P-C4' energy: -60.912 flat angles C4'-P-C4' energy: -41.469 flat angles P-C4'-P energy: -36.621 tors. eta vs tors. theta energy: 4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1177.305217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.305217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.305217 (E_RNA) where: Base-Base interactions energy: -796.560 where: short stacking energy: -384.907 Base-Backbone interact. energy: -0.253 local terms energy: -380.492407 where: bonds (distance) C4'-P energy: -61.669 bonds (distance) P-C4' energy: -64.025 flat angles C4'-P-C4' energy: -75.471 flat angles P-C4'-P energy: -62.928 tors. eta vs tors. theta energy: -116.398 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: 2, replica: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1133.416612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.416612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.416612 (E_RNA) where: Base-Base interactions energy: -764.325 where: short stacking energy: -364.077 Base-Backbone interact. energy: 0.015 local terms energy: -369.105986 where: bonds (distance) C4'-P energy: -76.015 bonds (distance) P-C4' energy: -59.037 flat angles C4'-P-C4' energy: -73.222 flat angles P-C4'-P energy: -58.371 tors. eta vs tors. theta energy: -102.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1102.768763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.768763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.768763 (E_RNA) where: Base-Base interactions energy: -736.300 where: short stacking energy: -340.920 Base-Backbone interact. energy: -1.531 local terms energy: -364.938621 where: bonds (distance) C4'-P energy: -72.394 bonds (distance) P-C4' energy: -59.729 flat angles C4'-P-C4' energy: -75.553 flat angles P-C4'-P energy: -52.883 tors. eta vs tors. theta energy: -104.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1005.713549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.713549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.713549 (E_RNA) where: Base-Base interactions energy: -676.400 where: short stacking energy: -312.221 Base-Backbone interact. energy: -0.075 local terms energy: -329.238124 where: bonds (distance) C4'-P energy: -60.180 bonds (distance) P-C4' energy: -53.574 flat angles C4'-P-C4' energy: -73.249 flat angles P-C4'-P energy: -49.978 tors. eta vs tors. theta energy: -92.258 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: 9 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -895.043246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.043246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.043246 (E_RNA) where: Base-Base interactions energy: -579.023 where: short stacking energy: -267.080 Base-Backbone interact. energy: -1.140 local terms energy: -314.881114 where: bonds (distance) C4'-P energy: -68.782 bonds (distance) P-C4' energy: -68.235 flat angles C4'-P-C4' energy: -66.030 flat angles P-C4'-P energy: -50.025 tors. eta vs tors. theta energy: -61.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -845.807120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.807120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.807120 (E_RNA) where: Base-Base interactions energy: -566.327 where: short stacking energy: -241.165 Base-Backbone interact. energy: 6.920 local terms energy: -286.400032 where: bonds (distance) C4'-P energy: -56.947 bonds (distance) P-C4' energy: -66.725 flat angles C4'-P-C4' energy: -58.943 flat angles P-C4'-P energy: -43.251 tors. eta vs tors. theta energy: -60.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -738.269568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.269568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.269568 (E_RNA) where: Base-Base interactions energy: -463.903 where: short stacking energy: -242.495 Base-Backbone interact. energy: 1.597 local terms energy: -275.963320 where: bonds (distance) C4'-P energy: -57.129 bonds (distance) P-C4' energy: -70.094 flat angles C4'-P-C4' energy: -67.193 flat angles P-C4'-P energy: -29.881 tors. eta vs tors. theta energy: -51.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -672.534067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.534067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.534067 (E_RNA) where: Base-Base interactions energy: -432.236 where: short stacking energy: -193.091 Base-Backbone interact. energy: -1.576 local terms energy: -238.722406 where: bonds (distance) C4'-P energy: -45.962 bonds (distance) P-C4' energy: -65.405 flat angles C4'-P-C4' energy: -47.057 flat angles P-C4'-P energy: -44.615 tors. eta vs tors. theta energy: -35.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -339.294641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.294641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.294641 (E_RNA) where: Base-Base interactions energy: -139.217 where: short stacking energy: -102.402 Base-Backbone interact. energy: -0.179 local terms energy: -199.898387 where: bonds (distance) C4'-P energy: -74.014 bonds (distance) P-C4' energy: -52.608 flat angles C4'-P-C4' energy: -36.841 flat angles P-C4'-P energy: -35.672 tors. eta vs tors. theta energy: -0.762 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: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -279.652994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.652994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.652994 (E_RNA) where: Base-Base interactions energy: -96.724 where: short stacking energy: -70.734 Base-Backbone interact. energy: -1.444 local terms energy: -181.485564 where: bonds (distance) C4'-P energy: -50.646 bonds (distance) P-C4' energy: -66.452 flat angles C4'-P-C4' energy: -36.627 flat angles P-C4'-P energy: -38.894 tors. eta vs tors. theta energy: 11.135 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: 1, replica: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1185.436159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.436159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.436159 (E_RNA) where: Base-Base interactions energy: -804.445 where: short stacking energy: -383.102 Base-Backbone interact. energy: -1.244 local terms energy: -379.747850 where: bonds (distance) C4'-P energy: -65.753 bonds (distance) P-C4' energy: -64.387 flat angles C4'-P-C4' energy: -72.643 flat angles P-C4'-P energy: -58.084 tors. eta vs tors. theta energy: -118.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1137.183205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.183205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.183205 (E_RNA) where: Base-Base interactions energy: -754.799 where: short stacking energy: -351.134 Base-Backbone interact. energy: 0.174 local terms energy: -382.557927 where: bonds (distance) C4'-P energy: -75.329 bonds (distance) P-C4' energy: -71.696 flat angles C4'-P-C4' energy: -76.151 flat angles P-C4'-P energy: -55.547 tors. eta vs tors. theta energy: -103.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1068.762236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.762236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.762236 (E_RNA) where: Base-Base interactions energy: -728.310 where: short stacking energy: -326.200 Base-Backbone interact. energy: -0.852 local terms energy: -339.599703 where: bonds (distance) C4'-P energy: -66.040 bonds (distance) P-C4' energy: -56.401 flat angles C4'-P-C4' energy: -83.160 flat angles P-C4'-P energy: -49.660 tors. eta vs tors. theta energy: -84.338 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: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1019.205071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.205071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.205071 (E_RNA) where: Base-Base interactions energy: -679.930 where: short stacking energy: -308.722 Base-Backbone interact. energy: -1.238 local terms energy: -338.037492 where: bonds (distance) C4'-P energy: -67.301 bonds (distance) P-C4' energy: -55.474 flat angles C4'-P-C4' energy: -77.627 flat angles P-C4'-P energy: -44.908 tors. eta vs tors. theta energy: -92.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -899.990184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.990184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.990184 (E_RNA) where: Base-Base interactions energy: -582.219 where: short stacking energy: -279.500 Base-Backbone interact. energy: -1.223 local terms energy: -316.548379 where: bonds (distance) C4'-P energy: -65.532 bonds (distance) P-C4' energy: -72.254 flat angles C4'-P-C4' energy: -73.700 flat angles P-C4'-P energy: -33.428 tors. eta vs tors. theta energy: -71.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -839.797722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.797722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.797722 (E_RNA) where: Base-Base interactions energy: -562.203 where: short stacking energy: -254.245 Base-Backbone interact. energy: -0.208 local terms energy: -277.386374 where: bonds (distance) C4'-P energy: -48.576 bonds (distance) P-C4' energy: -61.755 flat angles C4'-P-C4' energy: -64.124 flat angles P-C4'-P energy: -48.886 tors. eta vs tors. theta energy: -54.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -704.412536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.412536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.412536 (E_RNA) where: Base-Base interactions energy: -436.438 where: short stacking energy: -236.004 Base-Backbone interact. energy: -0.716 local terms energy: -267.259118 where: bonds (distance) C4'-P energy: -41.202 bonds (distance) P-C4' energy: -65.535 flat angles C4'-P-C4' energy: -63.503 flat angles P-C4'-P energy: -39.604 tors. eta vs tors. theta energy: -57.415 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: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -634.523202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.523202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.523202 (E_RNA) where: Base-Base interactions energy: -366.540 where: short stacking energy: -187.788 Base-Backbone interact. energy: -2.461 local terms energy: -265.521814 where: bonds (distance) C4'-P energy: -66.946 bonds (distance) P-C4' energy: -61.902 flat angles C4'-P-C4' energy: -52.115 flat angles P-C4'-P energy: -38.178 tors. eta vs tors. theta energy: -46.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -354.248944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.248944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.248944 (E_RNA) where: Base-Base interactions energy: -168.051 where: short stacking energy: -115.424 Base-Backbone interact. energy: -1.586 local terms energy: -184.612333 where: bonds (distance) C4'-P energy: -43.235 bonds (distance) P-C4' energy: -64.032 flat angles C4'-P-C4' energy: -45.920 flat angles P-C4'-P energy: -25.784 tors. eta vs tors. theta energy: -5.641 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: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -304.025876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.025876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.025876 (E_RNA) where: Base-Base interactions energy: -131.808 where: short stacking energy: -83.992 Base-Backbone interact. energy: 3.234 local terms energy: -175.452529 where: bonds (distance) C4'-P energy: -60.856 bonds (distance) P-C4' energy: -58.359 flat angles C4'-P-C4' energy: -45.165 flat angles P-C4'-P energy: -12.760 tors. eta vs tors. theta energy: 1.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1152.432991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.432991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.432991 (E_RNA) where: Base-Base interactions energy: -769.980 where: short stacking energy: -362.992 Base-Backbone interact. energy: -0.683 local terms energy: -381.769959 where: bonds (distance) C4'-P energy: -77.465 bonds (distance) P-C4' energy: -77.235 flat angles C4'-P-C4' energy: -79.796 flat angles P-C4'-P energy: -39.773 tors. eta vs tors. theta energy: -107.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1154.884268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.884268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.884268 (E_RNA) where: Base-Base interactions energy: -791.072 where: short stacking energy: -346.722 Base-Backbone interact. energy: 1.415 local terms energy: -365.226761 where: bonds (distance) C4'-P energy: -71.473 bonds (distance) P-C4' energy: -65.715 flat angles C4'-P-C4' energy: -72.053 flat angles P-C4'-P energy: -58.581 tors. eta vs tors. theta energy: -97.404 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: 312 Temperature: 1.000000 Total energy: -1089.156502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.156502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.156502 (E_RNA) where: Base-Base interactions energy: -732.901 where: short stacking energy: -342.676 Base-Backbone interact. energy: -1.778 local terms energy: -354.477459 where: bonds (distance) C4'-P energy: -59.932 bonds (distance) P-C4' energy: -61.675 flat angles C4'-P-C4' energy: -77.897 flat angles P-C4'-P energy: -49.242 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: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1000.851540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.851540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.851540 (E_RNA) where: Base-Base interactions energy: -677.698 where: short stacking energy: -302.820 Base-Backbone interact. energy: -0.893 local terms energy: -322.260311 where: bonds (distance) C4'-P energy: -54.687 bonds (distance) P-C4' energy: -57.432 flat angles C4'-P-C4' energy: -70.994 flat angles P-C4'-P energy: -47.845 tors. eta vs tors. theta energy: -91.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -921.614955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.614955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.614955 (E_RNA) where: Base-Base interactions energy: -595.517 where: short stacking energy: -297.301 Base-Backbone interact. energy: 0.490 local terms energy: -326.588275 where: bonds (distance) C4'-P energy: -58.396 bonds (distance) P-C4' energy: -57.886 flat angles C4'-P-C4' energy: -72.280 flat angles P-C4'-P energy: -53.225 tors. eta vs tors. theta energy: -84.802 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: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -846.753769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.753769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.753769 (E_RNA) where: Base-Base interactions energy: -545.896 where: short stacking energy: -242.187 Base-Backbone interact. energy: -0.365 local terms energy: -300.492536 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -63.249 flat angles C4'-P-C4' energy: -65.154 flat angles P-C4'-P energy: -52.478 tors. eta vs tors. theta energy: -59.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -734.684897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.684897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.684897 (E_RNA) where: Base-Base interactions energy: -449.487 where: short stacking energy: -243.096 Base-Backbone interact. energy: -0.443 local terms energy: -284.754796 where: bonds (distance) C4'-P energy: -66.243 bonds (distance) P-C4' energy: -57.843 flat angles C4'-P-C4' energy: -70.095 flat angles P-C4'-P energy: -36.144 tors. eta vs tors. theta energy: -54.430 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: 2 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -579.070487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.070487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.070487 (E_RNA) where: Base-Base interactions energy: -331.334 where: short stacking energy: -156.355 Base-Backbone interact. energy: -1.261 local terms energy: -246.476021 where: bonds (distance) C4'-P energy: -66.517 bonds (distance) P-C4' energy: -57.874 flat angles C4'-P-C4' energy: -59.702 flat angles P-C4'-P energy: -32.974 tors. eta vs tors. theta energy: -29.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -339.196882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.196882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.196882 (E_RNA) where: Base-Base interactions energy: -154.612 where: short stacking energy: -109.654 Base-Backbone interact. energy: 2.111 local terms energy: -186.695541 where: bonds (distance) C4'-P energy: -39.473 bonds (distance) P-C4' energy: -66.109 flat angles C4'-P-C4' energy: -41.634 flat angles P-C4'-P energy: -43.844 tors. eta vs tors. theta energy: 4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -298.660266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.660266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.660266 (E_RNA) where: Base-Base interactions energy: -118.114 where: short stacking energy: -88.821 Base-Backbone interact. energy: -1.405 local terms energy: -179.141612 where: bonds (distance) C4'-P energy: -49.842 bonds (distance) P-C4' energy: -52.179 flat angles C4'-P-C4' energy: -57.283 flat angles P-C4'-P energy: -24.271 tors. eta vs tors. theta energy: 4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1165.696554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.696554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.696554 (E_RNA) where: Base-Base interactions energy: -782.204 where: short stacking energy: -371.595 Base-Backbone interact. energy: -0.514 local terms energy: -382.978748 where: bonds (distance) C4'-P energy: -68.421 bonds (distance) P-C4' energy: -71.241 flat angles C4'-P-C4' energy: -76.056 flat angles P-C4'-P energy: -56.371 tors. eta vs tors. theta energy: -110.889 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: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1138.800724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.800724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.800724 (E_RNA) where: Base-Base interactions energy: -776.774 where: short stacking energy: -350.294 Base-Backbone interact. energy: -3.570 local terms energy: -358.456879 where: bonds (distance) C4'-P energy: -68.550 bonds (distance) P-C4' energy: -75.896 flat angles C4'-P-C4' energy: -75.665 flat angles P-C4'-P energy: -38.796 tors. eta vs tors. theta energy: -99.550 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: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1079.493914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.493914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.493914 (E_RNA) where: Base-Base interactions energy: -734.438 where: short stacking energy: -327.844 Base-Backbone interact. energy: -1.526 local terms energy: -343.529832 where: bonds (distance) C4'-P energy: -59.995 bonds (distance) P-C4' energy: -74.207 flat angles C4'-P-C4' energy: -69.315 flat angles P-C4'-P energy: -46.268 tors. eta vs tors. theta energy: -93.745 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: 4, replica: 4 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -993.440770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.440770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.440770 (E_RNA) where: Base-Base interactions energy: -645.047 where: short stacking energy: -297.848 Base-Backbone interact. energy: -0.176 local terms energy: -348.217800 where: bonds (distance) C4'-P energy: -58.895 bonds (distance) P-C4' energy: -67.898 flat angles C4'-P-C4' energy: -75.776 flat angles P-C4'-P energy: -55.468 tors. eta vs tors. theta energy: -90.181 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: 9 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -904.530559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.530559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.530559 (E_RNA) where: Base-Base interactions energy: -588.404 where: short stacking energy: -290.528 Base-Backbone interact. energy: -1.980 local terms energy: -314.146169 where: bonds (distance) C4'-P energy: -54.911 bonds (distance) P-C4' energy: -60.674 flat angles C4'-P-C4' energy: -76.875 flat angles P-C4'-P energy: -45.439 tors. eta vs tors. theta energy: -76.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -843.785670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.785670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.785670 (E_RNA) where: Base-Base interactions energy: -569.956 where: short stacking energy: -293.064 Base-Backbone interact. energy: -0.809 local terms energy: -273.020746 where: bonds (distance) C4'-P energy: -52.222 bonds (distance) P-C4' energy: -38.806 flat angles C4'-P-C4' energy: -71.601 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: -71.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -705.835659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.835659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.835659 (E_RNA) where: Base-Base interactions energy: -425.316 where: short stacking energy: -212.731 Base-Backbone interact. energy: -0.623 local terms energy: -279.897171 where: bonds (distance) C4'-P energy: -59.558 bonds (distance) P-C4' energy: -63.807 flat angles C4'-P-C4' energy: -56.273 flat angles P-C4'-P energy: -45.867 tors. eta vs tors. theta energy: -54.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -603.067603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.067603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.067603 (E_RNA) where: Base-Base interactions energy: -354.020 where: short stacking energy: -191.316 Base-Backbone interact. energy: 1.508 local terms energy: -250.555677 where: bonds (distance) C4'-P energy: -53.527 bonds (distance) P-C4' energy: -61.515 flat angles C4'-P-C4' energy: -71.501 flat angles P-C4'-P energy: -23.586 tors. eta vs tors. theta energy: -40.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -341.659023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.659023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.659023 (E_RNA) where: Base-Base interactions energy: -147.879 where: short stacking energy: -102.072 Base-Backbone interact. energy: 1.806 local terms energy: -195.586304 where: bonds (distance) C4'-P energy: -64.228 bonds (distance) P-C4' energy: -60.518 flat angles C4'-P-C4' energy: -45.445 flat angles P-C4'-P energy: -36.694 tors. eta vs tors. theta energy: 11.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -297.844351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.844351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.844351 (E_RNA) where: Base-Base interactions energy: -104.830 where: short stacking energy: -97.872 Base-Backbone interact. energy: 0.045 local terms energy: -193.059043 where: bonds (distance) C4'-P energy: -47.344 bonds (distance) P-C4' energy: -59.034 flat angles C4'-P-C4' energy: -45.342 flat angles P-C4'-P energy: -43.125 tors. eta vs tors. theta energy: 1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1177.556527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.556527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.556527 (E_RNA) where: Base-Base interactions energy: -790.511 where: short stacking energy: -396.622 Base-Backbone interact. energy: -0.848 local terms energy: -386.197391 where: bonds (distance) C4'-P energy: -64.485 bonds (distance) P-C4' energy: -73.938 flat angles C4'-P-C4' energy: -80.298 flat angles P-C4'-P energy: -60.265 tors. eta vs tors. theta energy: -107.210 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: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1145.589604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.589604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.589604 (E_RNA) where: Base-Base interactions energy: -791.432 where: short stacking energy: -345.934 Base-Backbone interact. energy: -0.965 local terms energy: -353.192461 where: bonds (distance) C4'-P energy: -67.557 bonds (distance) P-C4' energy: -71.869 flat angles C4'-P-C4' energy: -77.541 flat angles P-C4'-P energy: -41.277 tors. eta vs tors. theta energy: -94.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1069.964983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.964983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.964983 (E_RNA) where: Base-Base interactions energy: -725.357 where: short stacking energy: -328.443 Base-Backbone interact. energy: -2.074 local terms energy: -342.533468 where: bonds (distance) C4'-P energy: -54.582 bonds (distance) P-C4' energy: -66.544 flat angles C4'-P-C4' energy: -72.805 flat angles P-C4'-P energy: -51.588 tors. eta vs tors. theta energy: -97.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1017.664927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.664927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.664927 (E_RNA) where: Base-Base interactions energy: -679.350 where: short stacking energy: -319.575 Base-Backbone interact. energy: -0.591 local terms energy: -337.724306 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -60.257 flat angles C4'-P-C4' energy: -69.369 flat angles P-C4'-P energy: -50.359 tors. eta vs tors. theta energy: -92.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -931.298081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.298081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.298081 (E_RNA) where: Base-Base interactions energy: -637.056 where: short stacking energy: -325.258 Base-Backbone interact. energy: 0.454 local terms energy: -294.696108 where: bonds (distance) C4'-P energy: -45.171 bonds (distance) P-C4' energy: -50.947 flat angles C4'-P-C4' energy: -73.511 flat angles P-C4'-P energy: -39.107 tors. eta vs tors. theta energy: -85.961 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: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -821.412990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.412990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.412990 (E_RNA) where: Base-Base interactions energy: -536.165 where: short stacking energy: -247.992 Base-Backbone interact. energy: -1.592 local terms energy: -283.655671 where: bonds (distance) C4'-P energy: -55.840 bonds (distance) P-C4' energy: -63.022 flat angles C4'-P-C4' energy: -68.903 flat angles P-C4'-P energy: -47.208 tors. eta vs tors. theta energy: -48.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -737.533361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.533361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.533361 (E_RNA) where: Base-Base interactions energy: -451.720 where: short stacking energy: -241.093 Base-Backbone interact. energy: -1.394 local terms energy: -284.419752 where: bonds (distance) C4'-P energy: -62.109 bonds (distance) P-C4' energy: -64.233 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -41.507 tors. eta vs tors. theta energy: -55.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -633.646757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.646757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.646757 (E_RNA) where: Base-Base interactions energy: -394.404 where: short stacking energy: -181.684 Base-Backbone interact. energy: -0.701 local terms energy: -238.541822 where: bonds (distance) C4'-P energy: -43.726 bonds (distance) P-C4' energy: -64.274 flat angles C4'-P-C4' energy: -56.474 flat angles P-C4'-P energy: -36.324 tors. eta vs tors. theta energy: -37.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -366.814352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.814352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.814352 (E_RNA) where: Base-Base interactions energy: -141.616 where: short stacking energy: -88.014 Base-Backbone interact. energy: 0.855 local terms energy: -226.052822 where: bonds (distance) C4'-P energy: -60.642 bonds (distance) P-C4' energy: -68.832 flat angles C4'-P-C4' energy: -60.186 flat angles P-C4'-P energy: -33.207 tors. eta vs tors. theta energy: -3.186 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: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -298.443505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.443505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.443505 (E_RNA) where: Base-Base interactions energy: -91.211 where: short stacking energy: -83.559 Base-Backbone interact. energy: 1.534 local terms energy: -208.766387 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -62.955 flat angles C4'-P-C4' energy: -53.702 flat angles P-C4'-P energy: -35.934 tors. eta vs tors. theta energy: 0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1172.985096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.985096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.985096 (E_RNA) where: Base-Base interactions energy: -793.271 where: short stacking energy: -394.005 Base-Backbone interact. energy: -0.246 local terms energy: -379.467957 where: bonds (distance) C4'-P energy: -53.455 bonds (distance) P-C4' energy: -70.541 flat angles C4'-P-C4' energy: -84.593 flat angles P-C4'-P energy: -54.601 tors. eta vs tors. theta energy: -116.279 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: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1156.123854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.123854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.123854 (E_RNA) where: Base-Base interactions energy: -790.489 where: short stacking energy: -344.452 Base-Backbone interact. energy: -0.251 local terms energy: -365.383490 where: bonds (distance) C4'-P energy: -59.284 bonds (distance) P-C4' energy: -75.446 flat angles C4'-P-C4' energy: -82.392 flat angles P-C4'-P energy: -48.690 tors. eta vs tors. theta energy: -99.571 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: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1083.709307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.709307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.709307 (E_RNA) where: Base-Base interactions energy: -728.062 where: short stacking energy: -336.126 Base-Backbone interact. energy: -0.984 local terms energy: -354.662450 where: bonds (distance) C4'-P energy: -74.704 bonds (distance) P-C4' energy: -67.829 flat angles C4'-P-C4' energy: -74.082 flat angles P-C4'-P energy: -40.051 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: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1004.813903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.813903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.813903 (E_RNA) where: Base-Base interactions energy: -677.958 where: short stacking energy: -322.285 Base-Backbone interact. energy: -0.452 local terms energy: -326.403270 where: bonds (distance) C4'-P energy: -68.611 bonds (distance) P-C4' energy: -56.396 flat angles C4'-P-C4' energy: -67.991 flat angles P-C4'-P energy: -48.153 tors. eta vs tors. theta energy: -85.253 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: 9 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -928.315046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.315046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.315046 (E_RNA) where: Base-Base interactions energy: -590.645 where: short stacking energy: -297.212 Base-Backbone interact. energy: -0.207 local terms energy: -337.462753 where: bonds (distance) C4'-P energy: -69.564 bonds (distance) P-C4' energy: -65.588 flat angles C4'-P-C4' energy: -69.314 flat angles P-C4'-P energy: -58.102 tors. eta vs tors. theta energy: -74.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -840.303876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.303876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.303876 (E_RNA) where: Base-Base interactions energy: -554.604 where: short stacking energy: -258.881 Base-Backbone interact. energy: 1.588 local terms energy: -287.288280 where: bonds (distance) C4'-P energy: -58.494 bonds (distance) P-C4' energy: -57.890 flat angles C4'-P-C4' energy: -59.675 flat angles P-C4'-P energy: -41.749 tors. eta vs tors. theta energy: -69.480 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: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -708.052524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.052524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.052524 (E_RNA) where: Base-Base interactions energy: -420.258 where: short stacking energy: -196.813 Base-Backbone interact. energy: -1.169 local terms energy: -286.625683 where: bonds (distance) C4'-P energy: -52.943 bonds (distance) P-C4' energy: -61.933 flat angles C4'-P-C4' energy: -68.973 flat angles P-C4'-P energy: -44.491 tors. eta vs tors. theta energy: -58.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -629.622023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.622023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.622023 (E_RNA) where: Base-Base interactions energy: -391.704 where: short stacking energy: -167.535 Base-Backbone interact. energy: 0.327 local terms energy: -238.245230 where: bonds (distance) C4'-P energy: -50.061 bonds (distance) P-C4' energy: -66.652 flat angles C4'-P-C4' energy: -52.425 flat angles P-C4'-P energy: -44.775 tors. eta vs tors. theta energy: -24.332 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: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -360.189947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.189947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.189947 (E_RNA) where: Base-Base interactions energy: -155.945 where: short stacking energy: -92.382 Base-Backbone interact. energy: -0.193 local terms energy: -204.051948 where: bonds (distance) C4'-P energy: -58.362 bonds (distance) P-C4' energy: -56.481 flat angles C4'-P-C4' energy: -57.260 flat angles P-C4'-P energy: -32.897 tors. eta vs tors. theta energy: 0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -281.806001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.806001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.806001 (E_RNA) where: Base-Base interactions energy: -88.185 where: short stacking energy: -78.144 Base-Backbone interact. energy: 1.625 local terms energy: -195.245912 where: bonds (distance) C4'-P energy: -58.920 bonds (distance) P-C4' energy: -61.356 flat angles C4'-P-C4' energy: -41.962 flat angles P-C4'-P energy: -32.752 tors. eta vs tors. theta energy: -0.257 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: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1177.229164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.229164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.229164 (E_RNA) where: Base-Base interactions energy: -801.390 where: short stacking energy: -343.937 Base-Backbone interact. energy: -2.126 local terms energy: -373.712888 where: bonds (distance) C4'-P energy: -70.143 bonds (distance) P-C4' energy: -75.928 flat angles C4'-P-C4' energy: -74.611 flat angles P-C4'-P energy: -53.814 tors. eta vs tors. theta energy: -99.216 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: 1 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1147.117070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.117070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.117070 (E_RNA) where: Base-Base interactions energy: -780.282 where: short stacking energy: -365.188 Base-Backbone interact. energy: -0.667 local terms energy: -366.168461 where: bonds (distance) C4'-P energy: -61.359 bonds (distance) P-C4' energy: -66.001 flat angles C4'-P-C4' energy: -80.191 flat angles P-C4'-P energy: -46.248 tors. eta vs tors. theta energy: -112.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1054.366066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.366066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.366066 (E_RNA) where: Base-Base interactions energy: -705.364 where: short stacking energy: -328.558 Base-Backbone interact. energy: 0.252 local terms energy: -349.254229 where: bonds (distance) C4'-P energy: -71.453 bonds (distance) P-C4' energy: -59.646 flat angles C4'-P-C4' energy: -80.319 flat angles P-C4'-P energy: -43.794 tors. eta vs tors. theta energy: -94.042 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: 316 Temperature: 1.050000 Total energy: -998.270678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.270678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.270678 (E_RNA) where: Base-Base interactions energy: -666.356 where: short stacking energy: -309.497 Base-Backbone interact. energy: -1.729 local terms energy: -330.185191 where: bonds (distance) C4'-P energy: -58.165 bonds (distance) P-C4' energy: -57.502 flat angles C4'-P-C4' energy: -76.756 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -89.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -921.153356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.153356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.153356 (E_RNA) where: Base-Base interactions energy: -581.677 where: short stacking energy: -288.900 Base-Backbone interact. energy: 0.042 local terms energy: -339.518505 where: bonds (distance) C4'-P energy: -65.843 bonds (distance) P-C4' energy: -66.576 flat angles C4'-P-C4' energy: -69.827 flat angles P-C4'-P energy: -55.032 tors. eta vs tors. theta energy: -82.240 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: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -807.977196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.977196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.977196 (E_RNA) where: Base-Base interactions energy: -522.817 where: short stacking energy: -245.552 Base-Backbone interact. energy: -1.941 local terms energy: -283.218930 where: bonds (distance) C4'-P energy: -59.998 bonds (distance) P-C4' energy: -56.455 flat angles C4'-P-C4' energy: -54.403 flat angles P-C4'-P energy: -51.848 tors. eta vs tors. theta energy: -60.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -665.666609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.666609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.666609 (E_RNA) where: Base-Base interactions energy: -407.461 where: short stacking energy: -195.258 Base-Backbone interact. energy: -2.147 local terms energy: -256.058573 where: bonds (distance) C4'-P energy: -60.083 bonds (distance) P-C4' energy: -62.466 flat angles C4'-P-C4' energy: -55.260 flat angles P-C4'-P energy: -40.215 tors. eta vs tors. theta energy: -38.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -639.713103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.713103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.713103 (E_RNA) where: Base-Base interactions energy: -374.675 where: short stacking energy: -192.102 Base-Backbone interact. energy: -1.872 local terms energy: -263.165125 where: bonds (distance) C4'-P energy: -66.210 bonds (distance) P-C4' energy: -58.388 flat angles C4'-P-C4' energy: -56.903 flat angles P-C4'-P energy: -32.031 tors. eta vs tors. theta energy: -49.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -374.975146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.975146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.975146 (E_RNA) where: Base-Base interactions energy: -145.357 where: short stacking energy: -79.174 Base-Backbone interact. energy: -1.762 local terms energy: -227.856817 where: bonds (distance) C4'-P energy: -66.737 bonds (distance) P-C4' energy: -63.169 flat angles C4'-P-C4' energy: -51.750 flat angles P-C4'-P energy: -41.259 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -285.092150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.092150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.092150 (E_RNA) where: Base-Base interactions energy: -100.239 where: short stacking energy: -86.852 Base-Backbone interact. energy: -0.032 local terms energy: -184.820698 where: bonds (distance) C4'-P energy: -60.999 bonds (distance) P-C4' energy: -59.654 flat angles C4'-P-C4' energy: -42.400 flat angles P-C4'-P energy: -35.268 tors. eta vs tors. theta energy: 13.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1170.057704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.057704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.057704 (E_RNA) where: Base-Base interactions energy: -795.119 where: short stacking energy: -352.826 Base-Backbone interact. energy: -1.566 local terms energy: -373.373030 where: bonds (distance) C4'-P energy: -72.890 bonds (distance) P-C4' energy: -69.695 flat angles C4'-P-C4' energy: -77.602 flat angles P-C4'-P energy: -50.114 tors. eta vs tors. theta energy: -103.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1147.829096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.829096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.829096 (E_RNA) where: Base-Base interactions energy: -778.175 where: short stacking energy: -366.476 Base-Backbone interact. energy: -1.946 local terms energy: -367.707744 where: bonds (distance) C4'-P energy: -65.443 bonds (distance) P-C4' energy: -60.482 flat angles C4'-P-C4' energy: -80.047 flat angles P-C4'-P energy: -51.659 tors. eta vs tors. theta energy: -110.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1064.724708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.724708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.724708 (E_RNA) where: Base-Base interactions energy: -723.973 where: short stacking energy: -355.570 Base-Backbone interact. energy: -0.423 local terms energy: -340.328696 where: bonds (distance) C4'-P energy: -62.607 bonds (distance) P-C4' energy: -59.199 flat angles C4'-P-C4' energy: -70.897 flat angles P-C4'-P energy: -45.133 tors. eta vs tors. theta energy: -102.493 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: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1000.458023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.458023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.458023 (E_RNA) where: Base-Base interactions energy: -655.685 where: short stacking energy: -295.018 Base-Backbone interact. energy: -0.638 local terms energy: -344.135244 where: bonds (distance) C4'-P energy: -62.194 bonds (distance) P-C4' energy: -70.070 flat angles C4'-P-C4' energy: -83.433 flat angles P-C4'-P energy: -42.457 tors. eta vs tors. theta energy: -85.981 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: 9 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -913.531587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.531587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.531587 (E_RNA) where: Base-Base interactions energy: -604.443 where: short stacking energy: -277.471 Base-Backbone interact. energy: -1.635 local terms energy: -307.453566 where: bonds (distance) C4'-P energy: -58.912 bonds (distance) P-C4' energy: -56.576 flat angles C4'-P-C4' energy: -71.424 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -73.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -780.692930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.692930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.692930 (E_RNA) where: Base-Base interactions energy: -499.117 where: short stacking energy: -238.558 Base-Backbone interact. energy: -0.408 local terms energy: -281.167901 where: bonds (distance) C4'-P energy: -58.591 bonds (distance) P-C4' energy: -69.907 flat angles C4'-P-C4' energy: -59.704 flat angles P-C4'-P energy: -40.072 tors. eta vs tors. theta energy: -52.894 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: 317 Temperature: 1.200000 Total energy: -718.117672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.117672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.117672 (E_RNA) where: Base-Base interactions energy: -434.541 where: short stacking energy: -201.277 Base-Backbone interact. energy: 0.686 local terms energy: -284.261894 where: bonds (distance) C4'-P energy: -60.733 bonds (distance) P-C4' energy: -57.854 flat angles C4'-P-C4' energy: -72.790 flat angles P-C4'-P energy: -43.650 tors. eta vs tors. theta energy: -49.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -653.131389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.131389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.131389 (E_RNA) where: Base-Base interactions energy: -392.869 where: short stacking energy: -188.732 Base-Backbone interact. energy: -1.537 local terms energy: -258.725212 where: bonds (distance) C4'-P energy: -61.106 bonds (distance) P-C4' energy: -64.655 flat angles C4'-P-C4' energy: -53.503 flat angles P-C4'-P energy: -37.098 tors. eta vs tors. theta energy: -42.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -355.387446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.387446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.387446 (E_RNA) where: Base-Base interactions energy: -157.920 where: short stacking energy: -98.556 Base-Backbone interact. energy: 0.961 local terms energy: -198.428815 where: bonds (distance) C4'-P energy: -56.606 bonds (distance) P-C4' energy: -55.573 flat angles C4'-P-C4' energy: -57.689 flat angles P-C4'-P energy: -28.312 tors. eta vs tors. theta energy: -0.249 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: 10 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -298.919041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.919041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.919041 (E_RNA) where: Base-Base interactions energy: -100.567 where: short stacking energy: -73.107 Base-Backbone interact. energy: 1.710 local terms energy: -200.062206 where: bonds (distance) C4'-P energy: -59.093 bonds (distance) P-C4' energy: -57.893 flat angles C4'-P-C4' energy: -65.667 flat angles P-C4'-P energy: -23.988 tors. eta vs tors. theta energy: 6.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1175.619865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.619865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.619865 (E_RNA) where: Base-Base interactions energy: -794.397 where: short stacking energy: -355.220 Base-Backbone interact. energy: -0.881 local terms energy: -380.341893 where: bonds (distance) C4'-P energy: -69.132 bonds (distance) P-C4' energy: -76.923 flat angles C4'-P-C4' energy: -78.415 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -101.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1139.581828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.581828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.581828 (E_RNA) where: Base-Base interactions energy: -782.117 where: short stacking energy: -372.368 Base-Backbone interact. energy: 0.242 local terms energy: -357.706364 where: bonds (distance) C4'-P energy: -65.827 bonds (distance) P-C4' energy: -61.959 flat angles C4'-P-C4' energy: -77.542 flat angles P-C4'-P energy: -49.395 tors. eta vs tors. theta energy: -102.983 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: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1059.762585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.762585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.762585 (E_RNA) where: Base-Base interactions energy: -727.164 where: short stacking energy: -329.747 Base-Backbone interact. energy: -1.008 local terms energy: -331.590577 where: bonds (distance) C4'-P energy: -62.978 bonds (distance) P-C4' energy: -59.999 flat angles C4'-P-C4' energy: -72.901 flat angles P-C4'-P energy: -46.466 tors. eta vs tors. theta energy: -89.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -975.500726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.500726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.500726 (E_RNA) where: Base-Base interactions energy: -643.873 where: short stacking energy: -317.708 Base-Backbone interact. energy: -0.546 local terms energy: -331.081542 where: bonds (distance) C4'-P energy: -56.695 bonds (distance) P-C4' energy: -71.048 flat angles C4'-P-C4' energy: -71.785 flat angles P-C4'-P energy: -48.724 tors. eta vs tors. theta energy: -82.829 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: 5, replica: 9 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -921.462599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.462599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.462599 (E_RNA) where: Base-Base interactions energy: -618.811 where: short stacking energy: -303.772 Base-Backbone interact. energy: -1.521 local terms energy: -301.130248 where: bonds (distance) C4'-P energy: -59.823 bonds (distance) P-C4' energy: -54.576 flat angles C4'-P-C4' energy: -73.035 flat angles P-C4'-P energy: -35.868 tors. eta vs tors. theta energy: -77.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -811.460192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.460192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.460192 (E_RNA) where: Base-Base interactions energy: -509.211 where: short stacking energy: -230.630 Base-Backbone interact. energy: 0.681 local terms energy: -302.929869 where: bonds (distance) C4'-P energy: -65.865 bonds (distance) P-C4' energy: -64.211 flat angles C4'-P-C4' energy: -64.076 flat angles P-C4'-P energy: -42.647 tors. eta vs tors. theta energy: -66.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -715.564147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.564147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.564147 (E_RNA) where: Base-Base interactions energy: -460.572 where: short stacking energy: -203.745 Base-Backbone interact. energy: -1.122 local terms energy: -253.870116 where: bonds (distance) C4'-P energy: -63.398 bonds (distance) P-C4' energy: -58.197 flat angles C4'-P-C4' energy: -54.191 flat angles P-C4'-P energy: -31.738 tors. eta vs tors. theta energy: -46.347 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: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -663.538017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.538017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.538017 (E_RNA) where: Base-Base interactions energy: -400.872 where: short stacking energy: -207.282 Base-Backbone interact. energy: 0.131 local terms energy: -262.797062 where: bonds (distance) C4'-P energy: -64.874 bonds (distance) P-C4' energy: -49.956 flat angles C4'-P-C4' energy: -62.160 flat angles P-C4'-P energy: -44.294 tors. eta vs tors. theta energy: -41.512 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: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -344.674962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.674962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.674962 (E_RNA) where: Base-Base interactions energy: -167.704 where: short stacking energy: -107.096 Base-Backbone interact. energy: 0.330 local terms energy: -177.300367 where: bonds (distance) C4'-P energy: -46.038 bonds (distance) P-C4' energy: -51.472 flat angles C4'-P-C4' energy: -48.153 flat angles P-C4'-P energy: -28.772 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -346.928725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.928725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.928725 (E_RNA) where: Base-Base interactions energy: -155.027 where: short stacking energy: -95.686 Base-Backbone interact. energy: -1.423 local terms energy: -190.478302 where: bonds (distance) C4'-P energy: -55.411 bonds (distance) P-C4' energy: -56.592 flat angles C4'-P-C4' energy: -41.319 flat angles P-C4'-P energy: -32.873 tors. eta vs tors. theta energy: -4.283 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: 8 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1180.869963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.869963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.869963 (E_RNA) where: Base-Base interactions energy: -804.983 where: short stacking energy: -352.592 Base-Backbone interact. energy: -0.102 local terms energy: -375.785011 where: bonds (distance) C4'-P energy: -77.086 bonds (distance) P-C4' energy: -69.629 flat angles C4'-P-C4' energy: -75.450 flat angles P-C4'-P energy: -57.776 tors. eta vs tors. theta energy: -95.844 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: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1127.347782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.347782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.347782 (E_RNA) where: Base-Base interactions energy: -744.661 where: short stacking energy: -335.597 Base-Backbone interact. energy: -0.238 local terms energy: -382.449208 where: bonds (distance) C4'-P energy: -77.653 bonds (distance) P-C4' energy: -75.664 flat angles C4'-P-C4' energy: -72.108 flat angles P-C4'-P energy: -51.448 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: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1066.333037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.333037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.333037 (E_RNA) where: Base-Base interactions energy: -714.025 where: short stacking energy: -323.481 Base-Backbone interact. energy: -1.001 local terms energy: -351.306862 where: bonds (distance) C4'-P energy: -66.979 bonds (distance) P-C4' energy: -61.730 flat angles C4'-P-C4' energy: -83.049 flat angles P-C4'-P energy: -45.506 tors. eta vs tors. theta energy: -94.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1002.886062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.886062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.886062 (E_RNA) where: Base-Base interactions energy: -673.354 where: short stacking energy: -317.490 Base-Backbone interact. energy: -0.573 local terms energy: -328.958911 where: bonds (distance) C4'-P energy: -60.602 bonds (distance) P-C4' energy: -66.422 flat angles C4'-P-C4' energy: -65.761 flat angles P-C4'-P energy: -47.390 tors. eta vs tors. theta energy: -88.784 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: 9 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -907.341075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.341075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.341075 (E_RNA) where: Base-Base interactions energy: -582.630 where: short stacking energy: -278.314 Base-Backbone interact. energy: -1.535 local terms energy: -323.175362 where: bonds (distance) C4'-P energy: -65.210 bonds (distance) P-C4' energy: -61.265 flat angles C4'-P-C4' energy: -74.124 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: -77.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -842.196328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.196328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.196328 (E_RNA) where: Base-Base interactions energy: -559.733 where: short stacking energy: -251.304 Base-Backbone interact. energy: -2.597 local terms energy: -279.865869 where: bonds (distance) C4'-P energy: -63.398 bonds (distance) P-C4' energy: -50.398 flat angles C4'-P-C4' energy: -56.293 flat angles P-C4'-P energy: -45.185 tors. eta vs tors. theta energy: -64.591 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: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -712.781192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.781192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.781192 (E_RNA) where: Base-Base interactions energy: -448.757 where: short stacking energy: -221.924 Base-Backbone interact. energy: -1.449 local terms energy: -262.575851 where: bonds (distance) C4'-P energy: -61.255 bonds (distance) P-C4' energy: -58.359 flat angles C4'-P-C4' energy: -61.873 flat angles P-C4'-P energy: -28.129 tors. eta vs tors. theta energy: -52.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -681.639474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.639474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.639474 (E_RNA) where: Base-Base interactions energy: -413.256 where: short stacking energy: -219.176 Base-Backbone interact. energy: -0.888 local terms energy: -267.495537 where: bonds (distance) C4'-P energy: -52.967 bonds (distance) P-C4' energy: -55.172 flat angles C4'-P-C4' energy: -68.162 flat angles P-C4'-P energy: -33.010 tors. eta vs tors. theta energy: -58.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -381.483859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.483859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.483859 (E_RNA) where: Base-Base interactions energy: -167.058 where: short stacking energy: -122.079 Base-Backbone interact. energy: 3.676 local terms energy: -218.102333 where: bonds (distance) C4'-P energy: -68.574 bonds (distance) P-C4' energy: -50.444 flat angles C4'-P-C4' energy: -36.178 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: -17.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -398.898360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.898360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.898360 (E_RNA) where: Base-Base interactions energy: -187.858 where: short stacking energy: -123.550 Base-Backbone interact. energy: -1.057 local terms energy: -209.983535 where: bonds (distance) C4'-P energy: -53.162 bonds (distance) P-C4' energy: -59.150 flat angles C4'-P-C4' energy: -65.715 flat angles P-C4'-P energy: -23.436 tors. eta vs tors. theta energy: -8.520 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: 320 Temperature: 0.900000 Total energy: -1178.438024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.438024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.438024 (E_RNA) where: Base-Base interactions energy: -794.744 where: short stacking energy: -355.183 Base-Backbone interact. energy: 0.819 local terms energy: -384.513609 where: bonds (distance) C4'-P energy: -77.776 bonds (distance) P-C4' energy: -74.255 flat angles C4'-P-C4' energy: -78.992 flat angles P-C4'-P energy: -48.971 tors. eta vs tors. theta energy: -104.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1153.146403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.146403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.146403 (E_RNA) where: Base-Base interactions energy: -773.238 where: short stacking energy: -378.839 Base-Backbone interact. energy: -0.391 local terms energy: -379.518282 where: bonds (distance) C4'-P energy: -69.287 bonds (distance) P-C4' energy: -68.916 flat angles C4'-P-C4' energy: -74.625 flat angles P-C4'-P energy: -61.396 tors. eta vs tors. theta energy: -105.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1068.113780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.113780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.113780 (E_RNA) where: Base-Base interactions energy: -715.743 where: short stacking energy: -334.668 Base-Backbone interact. energy: 1.064 local terms energy: -353.435006 where: bonds (distance) C4'-P energy: -72.343 bonds (distance) P-C4' energy: -71.836 flat angles C4'-P-C4' energy: -74.067 flat angles P-C4'-P energy: -46.592 tors. eta vs tors. theta energy: -88.597 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: 320 Temperature: 1.050000 Total energy: -1008.372843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.372843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.372843 (E_RNA) where: Base-Base interactions energy: -657.923 where: short stacking energy: -314.339 Base-Backbone interact. energy: -0.152 local terms energy: -350.296935 where: bonds (distance) C4'-P energy: -70.697 bonds (distance) P-C4' energy: -56.011 flat angles C4'-P-C4' energy: -76.202 flat angles P-C4'-P energy: -52.959 tors. eta vs tors. theta energy: -94.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -897.979398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.979398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.979398 (E_RNA) where: Base-Base interactions energy: -562.582 where: short stacking energy: -264.371 Base-Backbone interact. energy: -0.294 local terms energy: -335.103240 where: bonds (distance) C4'-P energy: -55.370 bonds (distance) P-C4' energy: -69.984 flat angles C4'-P-C4' energy: -74.243 flat angles P-C4'-P energy: -56.631 tors. eta vs tors. theta energy: -78.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -827.669525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.669525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.669525 (E_RNA) where: Base-Base interactions energy: -522.320 where: short stacking energy: -251.602 Base-Backbone interact. energy: -2.669 local terms energy: -302.681031 where: bonds (distance) C4'-P energy: -64.433 bonds (distance) P-C4' energy: -59.550 flat angles C4'-P-C4' energy: -70.185 flat angles P-C4'-P energy: -41.768 tors. eta vs tors. theta energy: -66.745 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: 7, replica: 2 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -713.658575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.658575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.658575 (E_RNA) where: Base-Base interactions energy: -464.613 where: short stacking energy: -217.643 Base-Backbone interact. energy: -0.887 local terms energy: -248.158399 where: bonds (distance) C4'-P energy: -43.137 bonds (distance) P-C4' energy: -67.677 flat angles C4'-P-C4' energy: -60.448 flat angles P-C4'-P energy: -25.035 tors. eta vs tors. theta energy: -51.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -612.781908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.781908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.781908 (E_RNA) where: Base-Base interactions energy: -365.201 where: short stacking energy: -186.809 Base-Backbone interact. energy: -1.183 local terms energy: -246.397836 where: bonds (distance) C4'-P energy: -59.119 bonds (distance) P-C4' energy: -60.333 flat angles C4'-P-C4' energy: -44.219 flat angles P-C4'-P energy: -44.767 tors. eta vs tors. theta energy: -37.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -402.092469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.092469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.092469 (E_RNA) where: Base-Base interactions energy: -208.189 where: short stacking energy: -127.541 Base-Backbone interact. energy: -0.297 local terms energy: -193.606299 where: bonds (distance) C4'-P energy: -53.912 bonds (distance) P-C4' energy: -54.032 flat angles C4'-P-C4' energy: -51.004 flat angles P-C4'-P energy: -21.229 tors. eta vs tors. theta energy: -13.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -316.070351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.070351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.070351 (E_RNA) where: Base-Base interactions energy: -122.700 where: short stacking energy: -83.771 Base-Backbone interact. energy: -2.203 local terms energy: -191.167369 where: bonds (distance) C4'-P energy: -48.962 bonds (distance) P-C4' energy: -63.949 flat angles C4'-P-C4' energy: -44.191 flat angles P-C4'-P energy: -33.748 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1182.519941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.519941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.519941 (E_RNA) where: Base-Base interactions energy: -805.410 where: short stacking energy: -369.042 Base-Backbone interact. energy: 1.255 local terms energy: -378.364446 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -68.058 flat angles C4'-P-C4' energy: -70.377 flat angles P-C4'-P energy: -58.207 tors. eta vs tors. theta energy: -104.273 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: 3 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1109.752168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.752168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.752168 (E_RNA) where: Base-Base interactions energy: -757.665 where: short stacking energy: -347.279 Base-Backbone interact. energy: 0.017 local terms energy: -352.104052 where: bonds (distance) C4'-P energy: -77.314 bonds (distance) P-C4' energy: -59.133 flat angles C4'-P-C4' energy: -77.882 flat angles P-C4'-P energy: -47.925 tors. eta vs tors. theta energy: -89.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1130.579458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.579458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.579458 (E_RNA) where: Base-Base interactions energy: -770.026 where: short stacking energy: -353.189 Base-Backbone interact. energy: -1.371 local terms energy: -359.182311 where: bonds (distance) C4'-P energy: -62.815 bonds (distance) P-C4' energy: -57.024 flat angles C4'-P-C4' energy: -74.443 flat angles P-C4'-P energy: -57.533 tors. eta vs tors. theta energy: -107.368 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: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1013.620243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.620243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.620243 (E_RNA) where: Base-Base interactions energy: -667.558 where: short stacking energy: -318.760 Base-Backbone interact. energy: -1.026 local terms energy: -345.036524 where: bonds (distance) C4'-P energy: -68.602 bonds (distance) P-C4' energy: -70.087 flat angles C4'-P-C4' energy: -69.513 flat angles P-C4'-P energy: -42.956 tors. eta vs tors. theta energy: -93.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -928.572572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.572572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.572572 (E_RNA) where: Base-Base interactions energy: -607.134 where: short stacking energy: -298.946 Base-Backbone interact. energy: -0.204 local terms energy: -321.233903 where: bonds (distance) C4'-P energy: -65.836 bonds (distance) P-C4' energy: -70.317 flat angles C4'-P-C4' energy: -70.980 flat angles P-C4'-P energy: -38.085 tors. eta vs tors. theta energy: -76.015 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: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -827.362296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.362296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.362296 (E_RNA) where: Base-Base interactions energy: -519.006 where: short stacking energy: -259.228 Base-Backbone interact. energy: -2.903 local terms energy: -305.453326 where: bonds (distance) C4'-P energy: -60.629 bonds (distance) P-C4' energy: -66.700 flat angles C4'-P-C4' energy: -74.939 flat angles P-C4'-P energy: -33.283 tors. eta vs tors. theta energy: -69.902 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: 2 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -679.914951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.914951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.914951 (E_RNA) where: Base-Base interactions energy: -417.852 where: short stacking energy: -188.797 Base-Backbone interact. energy: -1.916 local terms energy: -260.146117 where: bonds (distance) C4'-P energy: -58.710 bonds (distance) P-C4' energy: -62.256 flat angles C4'-P-C4' energy: -61.518 flat angles P-C4'-P energy: -38.285 tors. eta vs tors. theta energy: -39.377 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: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -621.797918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.797918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.797918 (E_RNA) where: Base-Base interactions energy: -360.815 where: short stacking energy: -190.176 Base-Backbone interact. energy: -0.842 local terms energy: -260.141663 where: bonds (distance) C4'-P energy: -51.796 bonds (distance) P-C4' energy: -61.348 flat angles C4'-P-C4' energy: -51.112 flat angles P-C4'-P energy: -45.401 tors. eta vs tors. theta energy: -50.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -375.285569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.285569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.285569 (E_RNA) where: Base-Base interactions energy: -168.625 where: short stacking energy: -110.616 Base-Backbone interact. energy: -2.023 local terms energy: -204.637430 where: bonds (distance) C4'-P energy: -63.272 bonds (distance) P-C4' energy: -66.877 flat angles C4'-P-C4' energy: -45.351 flat angles P-C4'-P energy: -25.409 tors. eta vs tors. theta energy: -3.728 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: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -292.198018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.198018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.198018 (E_RNA) where: Base-Base interactions energy: -95.687 where: short stacking energy: -87.763 Base-Backbone interact. energy: -0.965 local terms energy: -195.546644 where: bonds (distance) C4'-P energy: -63.938 bonds (distance) P-C4' energy: -57.236 flat angles C4'-P-C4' energy: -46.818 flat angles P-C4'-P energy: -35.984 tors. eta vs tors. theta energy: 8.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1179.423667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.423667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.423667 (E_RNA) where: Base-Base interactions energy: -811.792 where: short stacking energy: -365.098 Base-Backbone interact. energy: -1.579 local terms energy: -366.052420 where: bonds (distance) C4'-P energy: -68.473 bonds (distance) P-C4' energy: -53.394 flat angles C4'-P-C4' energy: -81.545 flat angles P-C4'-P energy: -60.032 tors. eta vs tors. theta energy: -102.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1117.721742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.721742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.721742 (E_RNA) where: Base-Base interactions energy: -763.276 where: short stacking energy: -335.890 Base-Backbone interact. energy: -2.501 local terms energy: -351.944657 where: bonds (distance) C4'-P energy: -65.201 bonds (distance) P-C4' energy: -77.958 flat angles C4'-P-C4' energy: -78.563 flat angles P-C4'-P energy: -43.067 tors. eta vs tors. theta energy: -87.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1122.728727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.728727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.728727 (E_RNA) where: Base-Base interactions energy: -757.129 where: short stacking energy: -350.399 Base-Backbone interact. energy: -0.279 local terms energy: -365.320297 where: bonds (distance) C4'-P energy: -63.934 bonds (distance) P-C4' energy: -63.456 flat angles C4'-P-C4' energy: -79.755 flat angles P-C4'-P energy: -50.862 tors. eta vs tors. theta energy: -107.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1024.458546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.458546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.458546 (E_RNA) where: Base-Base interactions energy: -680.491 where: short stacking energy: -329.008 Base-Backbone interact. energy: 1.569 local terms energy: -345.537206 where: bonds (distance) C4'-P energy: -66.456 bonds (distance) P-C4' energy: -62.550 flat angles C4'-P-C4' energy: -72.827 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -91.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -900.986199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.986199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.986199 (E_RNA) where: Base-Base interactions energy: -594.208 where: short stacking energy: -277.494 Base-Backbone interact. energy: -0.147 local terms energy: -306.630950 where: bonds (distance) C4'-P energy: -58.004 bonds (distance) P-C4' energy: -54.806 flat angles C4'-P-C4' energy: -73.696 flat angles P-C4'-P energy: -50.518 tors. eta vs tors. theta energy: -69.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -827.615705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.615705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.615705 (E_RNA) where: Base-Base interactions energy: -538.770 where: short stacking energy: -244.216 Base-Backbone interact. energy: -2.472 local terms energy: -286.373438 where: bonds (distance) C4'-P energy: -48.983 bonds (distance) P-C4' energy: -60.320 flat angles C4'-P-C4' energy: -63.860 flat angles P-C4'-P energy: -48.330 tors. eta vs tors. theta energy: -64.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -730.212655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.212655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.212655 (E_RNA) where: Base-Base interactions energy: -443.991 where: short stacking energy: -216.353 Base-Backbone interact. energy: 0.210 local terms energy: -286.431716 where: bonds (distance) C4'-P energy: -63.932 bonds (distance) P-C4' energy: -61.747 flat angles C4'-P-C4' energy: -65.034 flat angles P-C4'-P energy: -47.710 tors. eta vs tors. theta energy: -48.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -618.796634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.796634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.796634 (E_RNA) where: Base-Base interactions energy: -367.153 where: short stacking energy: -183.727 Base-Backbone interact. energy: 1.726 local terms energy: -253.370052 where: bonds (distance) C4'-P energy: -51.067 bonds (distance) P-C4' energy: -57.187 flat angles C4'-P-C4' energy: -64.923 flat angles P-C4'-P energy: -40.271 tors. eta vs tors. theta energy: -39.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -464.169897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.169897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.169897 (E_RNA) where: Base-Base interactions energy: -243.418 where: short stacking energy: -148.043 Base-Backbone interact. energy: -1.054 local terms energy: -219.697935 where: bonds (distance) C4'-P energy: -48.304 bonds (distance) P-C4' energy: -62.170 flat angles C4'-P-C4' energy: -53.535 flat angles P-C4'-P energy: -38.509 tors. eta vs tors. theta energy: -17.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -289.509808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.509808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.509808 (E_RNA) where: Base-Base interactions energy: -93.170 where: short stacking energy: -64.709 Base-Backbone interact. energy: -2.376 local terms energy: -193.964128 where: bonds (distance) C4'-P energy: -58.179 bonds (distance) P-C4' energy: -70.083 flat angles C4'-P-C4' energy: -63.378 flat angles P-C4'-P energy: -21.177 tors. eta vs tors. theta energy: 18.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1191.099243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.099243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.099243 (E_RNA) where: Base-Base interactions energy: -816.960 where: short stacking energy: -361.299 Base-Backbone interact. energy: -1.657 local terms energy: -372.482143 where: bonds (distance) C4'-P energy: -65.441 bonds (distance) P-C4' energy: -72.973 flat angles C4'-P-C4' energy: -80.712 flat angles P-C4'-P energy: -49.442 tors. eta vs tors. theta energy: -103.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1148.295287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.295287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.295287 (E_RNA) where: Base-Base interactions energy: -775.622 where: short stacking energy: -363.302 Base-Backbone interact. energy: -0.698 local terms energy: -371.975115 where: bonds (distance) C4'-P energy: -70.259 bonds (distance) P-C4' energy: -70.890 flat angles C4'-P-C4' energy: -69.142 flat angles P-C4'-P energy: -49.978 tors. eta vs tors. theta energy: -111.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1091.499918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.499918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.499918 (E_RNA) where: Base-Base interactions energy: -748.145 where: short stacking energy: -328.281 Base-Backbone interact. energy: -1.159 local terms energy: -342.196354 where: bonds (distance) C4'-P energy: -65.841 bonds (distance) P-C4' energy: -74.603 flat angles C4'-P-C4' energy: -72.138 flat angles P-C4'-P energy: -43.701 tors. eta vs tors. theta energy: -85.914 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: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1060.354605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.354605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.354605 (E_RNA) where: Base-Base interactions energy: -718.771 where: short stacking energy: -331.800 Base-Backbone interact. energy: 1.563 local terms energy: -343.146596 where: bonds (distance) C4'-P energy: -62.911 bonds (distance) P-C4' energy: -58.885 flat angles C4'-P-C4' energy: -70.086 flat angles P-C4'-P energy: -50.498 tors. eta vs tors. theta energy: -100.766 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: 323 Temperature: 1.100000 Total energy: -890.227690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.227690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.227690 (E_RNA) where: Base-Base interactions energy: -590.579 where: short stacking energy: -277.920 Base-Backbone interact. energy: 1.558 local terms energy: -301.206754 where: bonds (distance) C4'-P energy: -63.528 bonds (distance) P-C4' energy: -62.077 flat angles C4'-P-C4' energy: -63.835 flat angles P-C4'-P energy: -43.620 tors. eta vs tors. theta energy: -68.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -842.854729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.854729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.854729 (E_RNA) where: Base-Base interactions energy: -548.552 where: short stacking energy: -262.844 Base-Backbone interact. energy: -2.099 local terms energy: -292.203837 where: bonds (distance) C4'-P energy: -62.050 bonds (distance) P-C4' energy: -60.311 flat angles C4'-P-C4' energy: -66.047 flat angles P-C4'-P energy: -42.961 tors. eta vs tors. theta energy: -60.835 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: 323 Temperature: 1.200000 Total energy: -721.677194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.677194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.677194 (E_RNA) where: Base-Base interactions energy: -449.876 where: short stacking energy: -225.538 Base-Backbone interact. energy: -0.579 local terms energy: -271.222766 where: bonds (distance) C4'-P energy: -59.539 bonds (distance) P-C4' energy: -77.586 flat angles C4'-P-C4' energy: -51.062 flat angles P-C4'-P energy: -36.940 tors. eta vs tors. theta energy: -46.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -604.417101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.417101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.417101 (E_RNA) where: Base-Base interactions energy: -381.543 where: short stacking energy: -203.233 Base-Backbone interact. energy: -1.111 local terms energy: -221.763261 where: bonds (distance) C4'-P energy: -44.238 bonds (distance) P-C4' energy: -54.748 flat angles C4'-P-C4' energy: -57.052 flat angles P-C4'-P energy: -27.786 tors. eta vs tors. theta energy: -37.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -457.949045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.949045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.949045 (E_RNA) where: Base-Base interactions energy: -251.688 where: short stacking energy: -149.551 Base-Backbone interact. energy: -2.374 local terms energy: -203.887868 where: bonds (distance) C4'-P energy: -43.236 bonds (distance) P-C4' energy: -61.045 flat angles C4'-P-C4' energy: -48.505 flat angles P-C4'-P energy: -35.346 tors. eta vs tors. theta energy: -15.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -278.975065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.975065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.975065 (E_RNA) where: Base-Base interactions energy: -106.431 where: short stacking energy: -93.021 Base-Backbone interact. energy: 0.003 local terms energy: -172.546995 where: bonds (distance) C4'-P energy: -58.241 bonds (distance) P-C4' energy: -49.710 flat angles C4'-P-C4' energy: -40.025 flat angles P-C4'-P energy: -37.825 tors. eta vs tors. theta energy: 13.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1183.870556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.870556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.870556 (E_RNA) where: Base-Base interactions energy: -797.154 where: short stacking energy: -363.429 Base-Backbone interact. energy: 0.426 local terms energy: -387.143205 where: bonds (distance) C4'-P energy: -67.565 bonds (distance) P-C4' energy: -74.858 flat angles C4'-P-C4' energy: -84.829 flat angles P-C4'-P energy: -56.341 tors. eta vs tors. theta energy: -103.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1156.303547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.303547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.303547 (E_RNA) where: Base-Base interactions energy: -782.616 where: short stacking energy: -355.993 Base-Backbone interact. energy: -0.973 local terms energy: -372.714766 where: bonds (distance) C4'-P energy: -61.450 bonds (distance) P-C4' energy: -62.046 flat angles C4'-P-C4' energy: -79.281 flat angles P-C4'-P energy: -52.771 tors. eta vs tors. theta energy: -117.167 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: 3, replica: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1071.262689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.262689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.262689 (E_RNA) where: Base-Base interactions energy: -710.129 where: short stacking energy: -325.815 Base-Backbone interact. energy: -1.790 local terms energy: -359.343987 where: bonds (distance) C4'-P energy: -61.125 bonds (distance) P-C4' energy: -73.464 flat angles C4'-P-C4' energy: -77.413 flat angles P-C4'-P energy: -53.480 tors. eta vs tors. theta energy: -93.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1020.923417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.923417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.923417 (E_RNA) where: Base-Base interactions energy: -676.621 where: short stacking energy: -286.724 Base-Backbone interact. energy: 2.381 local terms energy: -346.683274 where: bonds (distance) C4'-P energy: -64.962 bonds (distance) P-C4' energy: -77.672 flat angles C4'-P-C4' energy: -74.399 flat angles P-C4'-P energy: -49.829 tors. eta vs tors. theta energy: -79.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -882.327341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.327341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.327341 (E_RNA) where: Base-Base interactions energy: -574.338 where: short stacking energy: -286.399 Base-Backbone interact. energy: -1.243 local terms energy: -306.746862 where: bonds (distance) C4'-P energy: -66.046 bonds (distance) P-C4' energy: -56.929 flat angles C4'-P-C4' energy: -74.742 flat angles P-C4'-P energy: -37.227 tors. eta vs tors. theta energy: -71.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -839.748747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.748747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.748747 (E_RNA) where: Base-Base interactions energy: -560.059 where: short stacking energy: -266.122 Base-Backbone interact. energy: 4.403 local terms energy: -284.092718 where: bonds (distance) C4'-P energy: -50.314 bonds (distance) P-C4' energy: -54.349 flat angles C4'-P-C4' energy: -68.628 flat angles P-C4'-P energy: -41.811 tors. eta vs tors. theta energy: -68.990 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: 324 Temperature: 1.200000 Total energy: -726.846077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.846077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.846077 (E_RNA) where: Base-Base interactions energy: -458.109 where: short stacking energy: -203.742 Base-Backbone interact. energy: -2.174 local terms energy: -266.563055 where: bonds (distance) C4'-P energy: -64.614 bonds (distance) P-C4' energy: -59.661 flat angles C4'-P-C4' energy: -55.444 flat angles P-C4'-P energy: -44.396 tors. eta vs tors. theta energy: -42.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -615.733060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.733060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.733060 (E_RNA) where: Base-Base interactions energy: -365.604 where: short stacking energy: -191.404 Base-Backbone interact. energy: -0.024 local terms energy: -250.105385 where: bonds (distance) C4'-P energy: -64.807 bonds (distance) P-C4' energy: -49.979 flat angles C4'-P-C4' energy: -52.473 flat angles P-C4'-P energy: -42.075 tors. eta vs tors. theta energy: -40.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -484.262828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.262828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.262828 (E_RNA) where: Base-Base interactions energy: -258.058 where: short stacking energy: -135.326 Base-Backbone interact. energy: -0.888 local terms energy: -225.316954 where: bonds (distance) C4'-P energy: -64.807 bonds (distance) P-C4' energy: -73.143 flat angles C4'-P-C4' energy: -50.598 flat angles P-C4'-P energy: -20.902 tors. eta vs tors. theta energy: -15.868 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: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -278.969735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.969735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.969735 (E_RNA) where: Base-Base interactions energy: -105.178 where: short stacking energy: -93.767 Base-Backbone interact. energy: 2.569 local terms energy: -176.361393 where: bonds (distance) C4'-P energy: -57.918 bonds (distance) P-C4' energy: -62.896 flat angles C4'-P-C4' energy: -40.071 flat angles P-C4'-P energy: -16.767 tors. eta vs tors. theta energy: 1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1171.772115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.772115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.772115 (E_RNA) where: Base-Base interactions energy: -805.644 where: short stacking energy: -358.927 Base-Backbone interact. energy: -1.712 local terms energy: -364.415722 where: bonds (distance) C4'-P energy: -72.078 bonds (distance) P-C4' energy: -70.463 flat angles C4'-P-C4' energy: -77.290 flat angles P-C4'-P energy: -53.679 tors. eta vs tors. theta energy: -90.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1137.704626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.704626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.704626 (E_RNA) where: Base-Base interactions energy: -765.082 where: short stacking energy: -361.854 Base-Backbone interact. energy: 0.496 local terms energy: -373.118941 where: bonds (distance) C4'-P energy: -60.142 bonds (distance) P-C4' energy: -70.989 flat angles C4'-P-C4' energy: -75.284 flat angles P-C4'-P energy: -54.141 tors. eta vs tors. theta energy: -112.563 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: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1054.123872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.123872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.123872 (E_RNA) where: Base-Base interactions energy: -704.308 where: short stacking energy: -297.935 Base-Backbone interact. energy: 2.461 local terms energy: -352.276201 where: bonds (distance) C4'-P energy: -57.428 bonds (distance) P-C4' energy: -69.526 flat angles C4'-P-C4' energy: -75.255 flat angles P-C4'-P energy: -54.372 tors. eta vs tors. theta energy: -95.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1022.410185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.410185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.410185 (E_RNA) where: Base-Base interactions energy: -699.746 where: short stacking energy: -301.876 Base-Backbone interact. energy: 1.011 local terms energy: -323.674743 where: bonds (distance) C4'-P energy: -69.701 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -72.651 flat angles P-C4'-P energy: -38.306 tors. eta vs tors. theta energy: -77.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -904.424353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.424353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.424353 (E_RNA) where: Base-Base interactions energy: -592.357 where: short stacking energy: -282.186 Base-Backbone interact. energy: 1.512 local terms energy: -313.579328 where: bonds (distance) C4'-P energy: -60.821 bonds (distance) P-C4' energy: -68.281 flat angles C4'-P-C4' energy: -69.785 flat angles P-C4'-P energy: -41.604 tors. eta vs tors. theta energy: -73.089 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: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -825.723888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.723888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.723888 (E_RNA) where: Base-Base interactions energy: -537.841 where: short stacking energy: -263.579 Base-Backbone interact. energy: 2.243 local terms energy: -290.126090 where: bonds (distance) C4'-P energy: -50.539 bonds (distance) P-C4' energy: -65.873 flat angles C4'-P-C4' energy: -67.098 flat angles P-C4'-P energy: -47.094 tors. eta vs tors. theta energy: -59.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -694.533626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.533626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.533626 (E_RNA) where: Base-Base interactions energy: -428.363 where: short stacking energy: -191.646 Base-Backbone interact. energy: -1.835 local terms energy: -264.335693 where: bonds (distance) C4'-P energy: -61.983 bonds (distance) P-C4' energy: -65.394 flat angles C4'-P-C4' energy: -54.655 flat angles P-C4'-P energy: -39.939 tors. eta vs tors. theta energy: -42.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -598.051508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.051508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.051508 (E_RNA) where: Base-Base interactions energy: -362.640 where: short stacking energy: -191.624 Base-Backbone interact. energy: 0.294 local terms energy: -235.705556 where: bonds (distance) C4'-P energy: -57.849 bonds (distance) P-C4' energy: -53.901 flat angles C4'-P-C4' energy: -59.141 flat angles P-C4'-P energy: -26.791 tors. eta vs tors. theta energy: -38.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -471.142745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.142745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.142745 (E_RNA) where: Base-Base interactions energy: -262.132 where: short stacking energy: -133.339 Base-Backbone interact. energy: -0.861 local terms energy: -208.150046 where: bonds (distance) C4'-P energy: -43.841 bonds (distance) P-C4' energy: -68.708 flat angles C4'-P-C4' energy: -54.012 flat angles P-C4'-P energy: -25.688 tors. eta vs tors. theta energy: -15.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -289.789429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.789429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.789429 (E_RNA) where: Base-Base interactions energy: -107.841 where: short stacking energy: -100.099 Base-Backbone interact. energy: -0.771 local terms energy: -181.177479 where: bonds (distance) C4'-P energy: -51.519 bonds (distance) P-C4' energy: -53.288 flat angles C4'-P-C4' energy: -56.562 flat angles P-C4'-P energy: -22.062 tors. eta vs tors. theta energy: 2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1181.138290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.138290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.138290 (E_RNA) where: Base-Base interactions energy: -813.805 where: short stacking energy: -367.320 Base-Backbone interact. energy: -2.070 local terms energy: -365.263387 where: bonds (distance) C4'-P energy: -61.592 bonds (distance) P-C4' energy: -78.871 flat angles C4'-P-C4' energy: -77.618 flat angles P-C4'-P energy: -43.850 tors. eta vs tors. theta energy: -103.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1129.903398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.903398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.903398 (E_RNA) where: Base-Base interactions energy: -770.241 where: short stacking energy: -367.914 Base-Backbone interact. energy: -1.639 local terms energy: -358.023552 where: bonds (distance) C4'-P energy: -72.431 bonds (distance) P-C4' energy: -59.601 flat angles C4'-P-C4' energy: -76.361 flat angles P-C4'-P energy: -51.377 tors. eta vs tors. theta energy: -98.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1085.026277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.026277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.026277 (E_RNA) where: Base-Base interactions energy: -716.724 where: short stacking energy: -346.931 Base-Backbone interact. energy: -0.221 local terms energy: -368.081634 where: bonds (distance) C4'-P energy: -59.664 bonds (distance) P-C4' energy: -77.170 flat angles C4'-P-C4' energy: -80.568 flat angles P-C4'-P energy: -50.636 tors. eta vs tors. theta energy: -100.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1058.774851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.774851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.774851 (E_RNA) where: Base-Base interactions energy: -721.442 where: short stacking energy: -324.157 Base-Backbone interact. energy: -0.855 local terms energy: -336.478033 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -59.713 flat angles C4'-P-C4' energy: -77.060 flat angles P-C4'-P energy: -43.839 tors. eta vs tors. theta energy: -96.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -916.564284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.564284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.564284 (E_RNA) where: Base-Base interactions energy: -601.536 where: short stacking energy: -298.292 Base-Backbone interact. energy: -0.493 local terms energy: -314.535629 where: bonds (distance) C4'-P energy: -61.073 bonds (distance) P-C4' energy: -70.806 flat angles C4'-P-C4' energy: -61.162 flat angles P-C4'-P energy: -43.847 tors. eta vs tors. theta energy: -77.648 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: 5 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -825.309884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.309884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.309884 (E_RNA) where: Base-Base interactions energy: -553.660 where: short stacking energy: -250.376 Base-Backbone interact. energy: -0.165 local terms energy: -271.484339 where: bonds (distance) C4'-P energy: -52.242 bonds (distance) P-C4' energy: -54.342 flat angles C4'-P-C4' energy: -60.911 flat angles P-C4'-P energy: -45.579 tors. eta vs tors. theta energy: -58.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -673.876450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.876450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.876450 (E_RNA) where: Base-Base interactions energy: -426.473 where: short stacking energy: -204.249 Base-Backbone interact. energy: 0.263 local terms energy: -247.666370 where: bonds (distance) C4'-P energy: -55.477 bonds (distance) P-C4' energy: -52.822 flat angles C4'-P-C4' energy: -61.188 flat angles P-C4'-P energy: -35.048 tors. eta vs tors. theta energy: -43.130 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: 6 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -616.836962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.836962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.836962 (E_RNA) where: Base-Base interactions energy: -347.659 where: short stacking energy: -195.595 Base-Backbone interact. energy: -0.518 local terms energy: -268.659897 where: bonds (distance) C4'-P energy: -55.875 bonds (distance) P-C4' energy: -65.996 flat angles C4'-P-C4' energy: -62.820 flat angles P-C4'-P energy: -40.644 tors. eta vs tors. theta energy: -43.325 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: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -464.172891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.172891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.172891 (E_RNA) where: Base-Base interactions energy: -231.879 where: short stacking energy: -124.059 Base-Backbone interact. energy: -0.352 local terms energy: -231.941640 where: bonds (distance) C4'-P energy: -62.787 bonds (distance) P-C4' energy: -63.157 flat angles C4'-P-C4' energy: -49.488 flat angles P-C4'-P energy: -38.766 tors. eta vs tors. theta energy: -17.743 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: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -304.937654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.937654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.937654 (E_RNA) where: Base-Base interactions energy: -103.422 where: short stacking energy: -91.867 Base-Backbone interact. energy: 0.675 local terms energy: -202.191134 where: bonds (distance) C4'-P energy: -56.535 bonds (distance) P-C4' energy: -55.814 flat angles C4'-P-C4' energy: -59.330 flat angles P-C4'-P energy: -27.967 tors. eta vs tors. theta energy: -2.545 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: 327 Temperature: 0.900000 Total energy: -1179.417419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.417419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.417419 (E_RNA) where: Base-Base interactions energy: -802.404 where: short stacking energy: -374.767 Base-Backbone interact. energy: -2.178 local terms energy: -374.835937 where: bonds (distance) C4'-P energy: -71.161 bonds (distance) P-C4' energy: -68.317 flat angles C4'-P-C4' energy: -82.237 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -104.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1130.546723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.546723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.546723 (E_RNA) where: Base-Base interactions energy: -761.958 where: short stacking energy: -353.253 Base-Backbone interact. energy: -0.347 local terms energy: -368.242453 where: bonds (distance) C4'-P energy: -62.776 bonds (distance) P-C4' energy: -68.458 flat angles C4'-P-C4' energy: -75.791 flat angles P-C4'-P energy: -51.853 tors. eta vs tors. theta energy: -109.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1084.141579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.141579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.141579 (E_RNA) where: Base-Base interactions energy: -718.196 where: short stacking energy: -324.635 Base-Backbone interact. energy: -0.257 local terms energy: -365.688280 where: bonds (distance) C4'-P energy: -63.037 bonds (distance) P-C4' energy: -66.575 flat angles C4'-P-C4' energy: -86.066 flat angles P-C4'-P energy: -54.414 tors. eta vs tors. theta energy: -95.597 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: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1007.844680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.844680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.844680 (E_RNA) where: Base-Base interactions energy: -675.876 where: short stacking energy: -315.710 Base-Backbone interact. energy: -1.194 local terms energy: -330.774486 where: bonds (distance) C4'-P energy: -61.474 bonds (distance) P-C4' energy: -50.783 flat angles C4'-P-C4' energy: -83.230 flat angles P-C4'-P energy: -46.233 tors. eta vs tors. theta energy: -89.055 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: 9 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -893.758887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.758887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.758887 (E_RNA) where: Base-Base interactions energy: -563.062 where: short stacking energy: -264.916 Base-Backbone interact. energy: -0.325 local terms energy: -330.371451 where: bonds (distance) C4'-P energy: -71.797 bonds (distance) P-C4' energy: -55.952 flat angles C4'-P-C4' energy: -78.121 flat angles P-C4'-P energy: -45.542 tors. eta vs tors. theta energy: -78.960 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: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -832.691528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.691528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.691528 (E_RNA) where: Base-Base interactions energy: -535.673 where: short stacking energy: -241.478 Base-Backbone interact. energy: -1.062 local terms energy: -295.957137 where: bonds (distance) C4'-P energy: -68.538 bonds (distance) P-C4' energy: -66.495 flat angles C4'-P-C4' energy: -59.319 flat angles P-C4'-P energy: -44.892 tors. eta vs tors. theta energy: -56.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -727.406561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.406561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.406561 (E_RNA) where: Base-Base interactions energy: -455.165 where: short stacking energy: -207.252 Base-Backbone interact. energy: 0.761 local terms energy: -273.002890 where: bonds (distance) C4'-P energy: -61.450 bonds (distance) P-C4' energy: -52.654 flat angles C4'-P-C4' energy: -57.106 flat angles P-C4'-P energy: -50.896 tors. eta vs tors. theta energy: -50.896 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: 8, replica: 6 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -620.916276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.916276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.916276 (E_RNA) where: Base-Base interactions energy: -368.096 where: short stacking energy: -197.439 Base-Backbone interact. energy: -1.460 local terms energy: -251.359740 where: bonds (distance) C4'-P energy: -67.071 bonds (distance) P-C4' energy: -64.632 flat angles C4'-P-C4' energy: -54.331 flat angles P-C4'-P energy: -29.598 tors. eta vs tors. theta energy: -35.729 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: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -440.894524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.894524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.894524 (E_RNA) where: Base-Base interactions energy: -223.280 where: short stacking energy: -116.203 Base-Backbone interact. energy: -1.091 local terms energy: -216.523186 where: bonds (distance) C4'-P energy: -64.111 bonds (distance) P-C4' energy: -68.628 flat angles C4'-P-C4' energy: -49.581 flat angles P-C4'-P energy: -23.997 tors. eta vs tors. theta energy: -10.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -284.164039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.164039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.164039 (E_RNA) where: Base-Base interactions energy: -80.532 where: short stacking energy: -73.968 Base-Backbone interact. energy: -0.243 local terms energy: -203.388777 where: bonds (distance) C4'-P energy: -54.260 bonds (distance) P-C4' energy: -55.298 flat angles C4'-P-C4' energy: -61.764 flat angles P-C4'-P energy: -40.061 tors. eta vs tors. theta energy: 7.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1182.748578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.748578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.748578 (E_RNA) where: Base-Base interactions energy: -801.970 where: short stacking energy: -354.779 Base-Backbone interact. energy: -0.941 local terms energy: -379.837371 where: bonds (distance) C4'-P energy: -72.797 bonds (distance) P-C4' energy: -67.477 flat angles C4'-P-C4' energy: -84.471 flat angles P-C4'-P energy: -55.390 tors. eta vs tors. theta energy: -99.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1136.080683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.080683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.080683 (E_RNA) where: Base-Base interactions energy: -778.603 where: short stacking energy: -370.059 Base-Backbone interact. energy: -0.519 local terms energy: -356.959183 where: bonds (distance) C4'-P energy: -61.580 bonds (distance) P-C4' energy: -64.161 flat angles C4'-P-C4' energy: -79.687 flat angles P-C4'-P energy: -44.337 tors. eta vs tors. theta energy: -107.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1042.417117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.417117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.417117 (E_RNA) where: Base-Base interactions energy: -698.552 where: short stacking energy: -328.225 Base-Backbone interact. energy: -0.498 local terms energy: -343.367084 where: bonds (distance) C4'-P energy: -72.276 bonds (distance) P-C4' energy: -62.765 flat angles C4'-P-C4' energy: -70.903 flat angles P-C4'-P energy: -46.347 tors. eta vs tors. theta energy: -91.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1042.645583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.645583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.645583 (E_RNA) where: Base-Base interactions energy: -701.037 where: short stacking energy: -337.714 Base-Backbone interact. energy: -0.605 local terms energy: -341.003135 where: bonds (distance) C4'-P energy: -65.531 bonds (distance) P-C4' energy: -62.668 flat angles C4'-P-C4' energy: -69.460 flat angles P-C4'-P energy: -46.461 tors. eta vs tors. theta energy: -96.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -914.236583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.236583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.236583 (E_RNA) where: Base-Base interactions energy: -585.123 where: short stacking energy: -279.537 Base-Backbone interact. energy: 0.005 local terms energy: -329.118593 where: bonds (distance) C4'-P energy: -70.472 bonds (distance) P-C4' energy: -65.900 flat angles C4'-P-C4' energy: -71.893 flat angles P-C4'-P energy: -43.448 tors. eta vs tors. theta energy: -77.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -813.601756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.601756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.601756 (E_RNA) where: Base-Base interactions energy: -541.143 where: short stacking energy: -261.165 Base-Backbone interact. energy: -2.108 local terms energy: -270.350672 where: bonds (distance) C4'-P energy: -55.590 bonds (distance) P-C4' energy: -61.722 flat angles C4'-P-C4' energy: -56.010 flat angles P-C4'-P energy: -33.744 tors. eta vs tors. theta energy: -63.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -707.284124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.284124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.284124 (E_RNA) where: Base-Base interactions energy: -428.931 where: short stacking energy: -188.875 Base-Backbone interact. energy: -0.912 local terms energy: -277.441169 where: bonds (distance) C4'-P energy: -53.929 bonds (distance) P-C4' energy: -65.801 flat angles C4'-P-C4' energy: -69.996 flat angles P-C4'-P energy: -43.958 tors. eta vs tors. theta energy: -43.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -599.591548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.591548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.591548 (E_RNA) where: Base-Base interactions energy: -352.158 where: short stacking energy: -190.384 Base-Backbone interact. energy: -1.649 local terms energy: -245.784593 where: bonds (distance) C4'-P energy: -52.072 bonds (distance) P-C4' energy: -72.679 flat angles C4'-P-C4' energy: -46.074 flat angles P-C4'-P energy: -35.092 tors. eta vs tors. theta energy: -39.868 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: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -460.575746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.575746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.575746 (E_RNA) where: Base-Base interactions energy: -247.094 where: short stacking energy: -148.162 Base-Backbone interact. energy: -0.274 local terms energy: -213.207376 where: bonds (distance) C4'-P energy: -41.385 bonds (distance) P-C4' energy: -62.653 flat angles C4'-P-C4' energy: -50.235 flat angles P-C4'-P energy: -41.793 tors. eta vs tors. theta energy: -17.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -293.530002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.530002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.530002 (E_RNA) where: Base-Base interactions energy: -112.732 where: short stacking energy: -110.959 Base-Backbone interact. energy: 0.181 local terms energy: -180.979517 where: bonds (distance) C4'-P energy: -57.728 bonds (distance) P-C4' energy: -67.536 flat angles C4'-P-C4' energy: -32.993 flat angles P-C4'-P energy: -23.845 tors. eta vs tors. theta energy: 1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1167.937708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.937708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.937708 (E_RNA) where: Base-Base interactions energy: -783.891 where: short stacking energy: -349.660 Base-Backbone interact. energy: -1.578 local terms energy: -382.469593 where: bonds (distance) C4'-P energy: -74.849 bonds (distance) P-C4' energy: -67.743 flat angles C4'-P-C4' energy: -81.388 flat angles P-C4'-P energy: -51.017 tors. eta vs tors. theta energy: -107.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1147.261779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.261779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.261779 (E_RNA) where: Base-Base interactions energy: -782.998 where: short stacking energy: -366.049 Base-Backbone interact. energy: -0.215 local terms energy: -364.048865 where: bonds (distance) C4'-P energy: -65.771 bonds (distance) P-C4' energy: -56.261 flat angles C4'-P-C4' energy: -76.562 flat angles P-C4'-P energy: -56.341 tors. eta vs tors. theta energy: -109.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1040.597194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.597194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.597194 (E_RNA) where: Base-Base interactions energy: -703.409 where: short stacking energy: -320.181 Base-Backbone interact. energy: 0.981 local terms energy: -338.169401 where: bonds (distance) C4'-P energy: -62.601 bonds (distance) P-C4' energy: -63.044 flat angles C4'-P-C4' energy: -72.435 flat angles P-C4'-P energy: -45.501 tors. eta vs tors. theta energy: -94.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1053.323741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.323741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.323741 (E_RNA) where: Base-Base interactions energy: -703.375 where: short stacking energy: -330.265 Base-Backbone interact. energy: -2.268 local terms energy: -347.680545 where: bonds (distance) C4'-P energy: -67.435 bonds (distance) P-C4' energy: -66.279 flat angles C4'-P-C4' energy: -65.513 flat angles P-C4'-P energy: -57.339 tors. eta vs tors. theta energy: -91.114 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: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -898.182418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.182418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.182418 (E_RNA) where: Base-Base interactions energy: -575.949 where: short stacking energy: -275.669 Base-Backbone interact. energy: -2.077 local terms energy: -320.157054 where: bonds (distance) C4'-P energy: -63.153 bonds (distance) P-C4' energy: -67.356 flat angles C4'-P-C4' energy: -68.025 flat angles P-C4'-P energy: -39.469 tors. eta vs tors. theta energy: -82.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -795.923955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.923955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.923955 (E_RNA) where: Base-Base interactions energy: -502.220 where: short stacking energy: -233.941 Base-Backbone interact. energy: 1.197 local terms energy: -294.900970 where: bonds (distance) C4'-P energy: -59.117 bonds (distance) P-C4' energy: -59.547 flat angles C4'-P-C4' energy: -66.683 flat angles P-C4'-P energy: -42.273 tors. eta vs tors. theta energy: -67.280 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: 7, replica: 2 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -714.370786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.370786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.370786 (E_RNA) where: Base-Base interactions energy: -442.752 where: short stacking energy: -203.193 Base-Backbone interact. energy: -0.951 local terms energy: -270.668408 where: bonds (distance) C4'-P energy: -59.978 bonds (distance) P-C4' energy: -51.832 flat angles C4'-P-C4' energy: -63.099 flat angles P-C4'-P energy: -50.688 tors. eta vs tors. theta energy: -45.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -609.927492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.927492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.927492 (E_RNA) where: Base-Base interactions energy: -347.028 where: short stacking energy: -175.347 Base-Backbone interact. energy: -2.042 local terms energy: -260.857333 where: bonds (distance) C4'-P energy: -66.758 bonds (distance) P-C4' energy: -64.552 flat angles C4'-P-C4' energy: -56.988 flat angles P-C4'-P energy: -36.006 tors. eta vs tors. theta energy: -36.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -435.084475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.084475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.084475 (E_RNA) where: Base-Base interactions energy: -213.761 where: short stacking energy: -126.004 Base-Backbone interact. energy: -0.222 local terms energy: -221.101314 where: bonds (distance) C4'-P energy: -52.858 bonds (distance) P-C4' energy: -63.546 flat angles C4'-P-C4' energy: -58.876 flat angles P-C4'-P energy: -34.503 tors. eta vs tors. theta energy: -11.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -294.536488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.536488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.536488 (E_RNA) where: Base-Base interactions energy: -112.717 where: short stacking energy: -81.119 Base-Backbone interact. energy: -0.920 local terms energy: -180.899981 where: bonds (distance) C4'-P energy: -57.918 bonds (distance) P-C4' energy: -52.356 flat angles C4'-P-C4' energy: -47.505 flat angles P-C4'-P energy: -26.997 tors. eta vs tors. theta energy: 3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1174.500734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.500734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.500734 (E_RNA) where: Base-Base interactions energy: -795.970 where: short stacking energy: -375.507 Base-Backbone interact. energy: -0.620 local terms energy: -377.910959 where: bonds (distance) C4'-P energy: -59.314 bonds (distance) P-C4' energy: -67.786 flat angles C4'-P-C4' energy: -77.080 flat angles P-C4'-P energy: -61.780 tors. eta vs tors. theta energy: -111.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1143.821616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.821616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.821616 (E_RNA) where: Base-Base interactions energy: -794.183 where: short stacking energy: -355.680 Base-Backbone interact. energy: -0.596 local terms energy: -349.042573 where: bonds (distance) C4'-P energy: -50.015 bonds (distance) P-C4' energy: -65.918 flat angles C4'-P-C4' energy: -82.901 flat angles P-C4'-P energy: -52.946 tors. eta vs tors. theta energy: -97.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1067.665586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.665586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.665586 (E_RNA) where: Base-Base interactions energy: -733.958 where: short stacking energy: -325.144 Base-Backbone interact. energy: -1.499 local terms energy: -332.208561 where: bonds (distance) C4'-P energy: -69.894 bonds (distance) P-C4' energy: -63.314 flat angles C4'-P-C4' energy: -71.710 flat angles P-C4'-P energy: -39.555 tors. eta vs tors. theta energy: -87.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1036.229698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.229698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.229698 (E_RNA) where: Base-Base interactions energy: -686.892 where: short stacking energy: -316.055 Base-Backbone interact. energy: -0.993 local terms energy: -348.344149 where: bonds (distance) C4'-P energy: -64.066 bonds (distance) P-C4' energy: -68.011 flat angles C4'-P-C4' energy: -79.950 flat angles P-C4'-P energy: -44.916 tors. eta vs tors. theta energy: -91.401 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: 5, replica: 9 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -874.684952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.684952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.684952 (E_RNA) where: Base-Base interactions energy: -570.470 where: short stacking energy: -268.389 Base-Backbone interact. energy: -0.916 local terms energy: -303.298619 where: bonds (distance) C4'-P energy: -67.765 bonds (distance) P-C4' energy: -65.476 flat angles C4'-P-C4' energy: -59.460 flat angles P-C4'-P energy: -39.120 tors. eta vs tors. theta energy: -71.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -843.931723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.931723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.931723 (E_RNA) where: Base-Base interactions energy: -548.368 where: short stacking energy: -255.811 Base-Backbone interact. energy: 3.413 local terms energy: -298.976643 where: bonds (distance) C4'-P energy: -56.096 bonds (distance) P-C4' energy: -62.146 flat angles C4'-P-C4' energy: -63.333 flat angles P-C4'-P energy: -51.687 tors. eta vs tors. theta energy: -65.715 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: 2 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -796.304523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.304523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.304523 (E_RNA) where: Base-Base interactions energy: -485.398 where: short stacking energy: -227.447 Base-Backbone interact. energy: -1.138 local terms energy: -309.768444 where: bonds (distance) C4'-P energy: -57.578 bonds (distance) P-C4' energy: -80.964 flat angles C4'-P-C4' energy: -64.789 flat angles P-C4'-P energy: -42.076 tors. eta vs tors. theta energy: -64.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -602.979967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.979967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.979967 (E_RNA) where: Base-Base interactions energy: -363.231 where: short stacking energy: -190.185 Base-Backbone interact. energy: -1.553 local terms energy: -238.196511 where: bonds (distance) C4'-P energy: -56.571 bonds (distance) P-C4' energy: -56.529 flat angles C4'-P-C4' energy: -60.102 flat angles P-C4'-P energy: -25.902 tors. eta vs tors. theta energy: -39.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -373.705258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.705258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.705258 (E_RNA) where: Base-Base interactions energy: -172.900 where: short stacking energy: -118.334 Base-Backbone interact. energy: 2.203 local terms energy: -203.007616 where: bonds (distance) C4'-P energy: -50.149 bonds (distance) P-C4' energy: -53.796 flat angles C4'-P-C4' energy: -51.432 flat angles P-C4'-P energy: -37.322 tors. eta vs tors. theta energy: -10.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -288.814192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.814192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.814192 (E_RNA) where: Base-Base interactions energy: -97.014 where: short stacking energy: -87.255 Base-Backbone interact. energy: 0.492 local terms energy: -192.292420 where: bonds (distance) C4'-P energy: -56.934 bonds (distance) P-C4' energy: -63.834 flat angles C4'-P-C4' energy: -49.849 flat angles P-C4'-P energy: -31.290 tors. eta vs tors. theta energy: 9.614 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: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1176.166620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.166620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.166620 (E_RNA) where: Base-Base interactions energy: -780.601 where: short stacking energy: -375.322 Base-Backbone interact. energy: 0.029 local terms energy: -395.595060 where: bonds (distance) C4'-P energy: -76.097 bonds (distance) P-C4' energy: -72.746 flat angles C4'-P-C4' energy: -77.692 flat angles P-C4'-P energy: -56.061 tors. eta vs tors. theta energy: -113.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1137.648356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.648356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.648356 (E_RNA) where: Base-Base interactions energy: -782.244 where: short stacking energy: -351.539 Base-Backbone interact. energy: -2.001 local terms energy: -353.402424 where: bonds (distance) C4'-P energy: -61.561 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -69.176 flat angles P-C4'-P energy: -55.090 tors. eta vs tors. theta energy: -106.520 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: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1051.858173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.858173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.858173 (E_RNA) where: Base-Base interactions energy: -701.691 where: short stacking energy: -327.357 Base-Backbone interact. energy: -1.149 local terms energy: -349.018805 where: bonds (distance) C4'-P energy: -70.448 bonds (distance) P-C4' energy: -62.533 flat angles C4'-P-C4' energy: -78.876 flat angles P-C4'-P energy: -46.667 tors. eta vs tors. theta energy: -90.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1041.491124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.491124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.491124 (E_RNA) where: Base-Base interactions energy: -714.510 where: short stacking energy: -328.642 Base-Backbone interact. energy: -1.431 local terms energy: -325.550174 where: bonds (distance) C4'-P energy: -57.940 bonds (distance) P-C4' energy: -66.706 flat angles C4'-P-C4' energy: -69.537 flat angles P-C4'-P energy: -37.445 tors. eta vs tors. theta energy: -93.922 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: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -831.028057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.028057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.028057 (E_RNA) where: Base-Base interactions energy: -542.537 where: short stacking energy: -262.845 Base-Backbone interact. energy: -0.669 local terms energy: -287.822189 where: bonds (distance) C4'-P energy: -58.125 bonds (distance) P-C4' energy: -61.496 flat angles C4'-P-C4' energy: -71.565 flat angles P-C4'-P energy: -36.515 tors. eta vs tors. theta energy: -60.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -824.709644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.709644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.709644 (E_RNA) where: Base-Base interactions energy: -539.318 where: short stacking energy: -242.359 Base-Backbone interact. energy: -2.318 local terms energy: -283.073753 where: bonds (distance) C4'-P energy: -41.131 bonds (distance) P-C4' energy: -64.866 flat angles C4'-P-C4' energy: -71.350 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -56.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -735.660308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.660308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.660308 (E_RNA) where: Base-Base interactions energy: -479.652 where: short stacking energy: -201.669 Base-Backbone interact. energy: -1.422 local terms energy: -254.586971 where: bonds (distance) C4'-P energy: -59.302 bonds (distance) P-C4' energy: -48.314 flat angles C4'-P-C4' energy: -64.594 flat angles P-C4'-P energy: -33.927 tors. eta vs tors. theta energy: -48.449 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: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -604.298229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.298229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.298229 (E_RNA) where: Base-Base interactions energy: -350.221 where: short stacking energy: -191.667 Base-Backbone interact. energy: 1.313 local terms energy: -255.390234 where: bonds (distance) C4'-P energy: -55.318 bonds (distance) P-C4' energy: -63.892 flat angles C4'-P-C4' energy: -66.569 flat angles P-C4'-P energy: -37.600 tors. eta vs tors. theta energy: -32.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -382.481174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.481174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.481174 (E_RNA) where: Base-Base interactions energy: -173.388 where: short stacking energy: -113.254 Base-Backbone interact. energy: 0.034 local terms energy: -209.127512 where: bonds (distance) C4'-P energy: -45.533 bonds (distance) P-C4' energy: -66.826 flat angles C4'-P-C4' energy: -54.461 flat angles P-C4'-P energy: -33.630 tors. eta vs tors. theta energy: -8.678 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: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -297.530184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.530184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.530184 (E_RNA) where: Base-Base interactions energy: -119.096 where: short stacking energy: -105.336 Base-Backbone interact. energy: 1.484 local terms energy: -179.918463 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -59.354 flat angles C4'-P-C4' energy: -47.983 flat angles P-C4'-P energy: -24.518 tors. eta vs tors. theta energy: 12.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1183.667190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.667190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.667190 (E_RNA) where: Base-Base interactions energy: -805.698 where: short stacking energy: -392.963 Base-Backbone interact. energy: -0.487 local terms energy: -377.481920 where: bonds (distance) C4'-P energy: -70.460 bonds (distance) P-C4' energy: -64.354 flat angles C4'-P-C4' energy: -79.625 flat angles P-C4'-P energy: -53.134 tors. eta vs tors. theta energy: -109.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1146.721421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.721421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.721421 (E_RNA) where: Base-Base interactions energy: -764.907 where: short stacking energy: -358.737 Base-Backbone interact. energy: -0.610 local terms energy: -381.204093 where: bonds (distance) C4'-P energy: -66.892 bonds (distance) P-C4' energy: -76.217 flat angles C4'-P-C4' energy: -82.794 flat angles P-C4'-P energy: -53.465 tors. eta vs tors. theta energy: -101.836 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: 4 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1061.886287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.886287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.886287 (E_RNA) where: Base-Base interactions energy: -710.125 where: short stacking energy: -325.846 Base-Backbone interact. energy: -1.714 local terms energy: -350.047524 where: bonds (distance) C4'-P energy: -63.116 bonds (distance) P-C4' energy: -65.890 flat angles C4'-P-C4' energy: -78.583 flat angles P-C4'-P energy: -48.420 tors. eta vs tors. theta energy: -94.039 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: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1024.989101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.989101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.989101 (E_RNA) where: Base-Base interactions energy: -683.078 where: short stacking energy: -319.078 Base-Backbone interact. energy: -1.570 local terms energy: -340.340632 where: bonds (distance) C4'-P energy: -64.839 bonds (distance) P-C4' energy: -62.744 flat angles C4'-P-C4' energy: -63.799 flat angles P-C4'-P energy: -51.791 tors. eta vs tors. theta energy: -97.167 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: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -852.562655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.562655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.562655 (E_RNA) where: Base-Base interactions energy: -559.261 where: short stacking energy: -245.658 Base-Backbone interact. energy: 0.325 local terms energy: -293.626084 where: bonds (distance) C4'-P energy: -59.205 bonds (distance) P-C4' energy: -79.319 flat angles C4'-P-C4' energy: -64.532 flat angles P-C4'-P energy: -45.320 tors. eta vs tors. theta energy: -45.250 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: 6, replica: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -825.973581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.973581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.973581 (E_RNA) where: Base-Base interactions energy: -519.250 where: short stacking energy: -245.483 Base-Backbone interact. energy: -0.622 local terms energy: -306.101380 where: bonds (distance) C4'-P energy: -68.284 bonds (distance) P-C4' energy: -55.846 flat angles C4'-P-C4' energy: -77.755 flat angles P-C4'-P energy: -41.930 tors. eta vs tors. theta energy: -62.288 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: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -668.100443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.100443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.100443 (E_RNA) where: Base-Base interactions energy: -403.214 where: short stacking energy: -220.759 Base-Backbone interact. energy: 1.604 local terms energy: -266.490717 where: bonds (distance) C4'-P energy: -55.690 bonds (distance) P-C4' energy: -58.524 flat angles C4'-P-C4' energy: -64.089 flat angles P-C4'-P energy: -35.047 tors. eta vs tors. theta energy: -53.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -679.730471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.730471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.730471 (E_RNA) where: Base-Base interactions energy: -439.818 where: short stacking energy: -187.710 Base-Backbone interact. energy: -1.409 local terms energy: -238.503374 where: bonds (distance) C4'-P energy: -53.540 bonds (distance) P-C4' energy: -53.737 flat angles C4'-P-C4' energy: -51.152 flat angles P-C4'-P energy: -41.276 tors. eta vs tors. theta energy: -38.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -359.943147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.943147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.943147 (E_RNA) where: Base-Base interactions energy: -164.827 where: short stacking energy: -118.625 Base-Backbone interact. energy: 1.341 local terms energy: -196.457310 where: bonds (distance) C4'-P energy: -50.862 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -54.744 flat angles P-C4'-P energy: -22.159 tors. eta vs tors. theta energy: -7.845 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: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -262.024590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.024590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.024590 (E_RNA) where: Base-Base interactions energy: -77.825 where: short stacking energy: -64.800 Base-Backbone interact. energy: -0.285 local terms energy: -183.915541 where: bonds (distance) C4'-P energy: -45.476 bonds (distance) P-C4' energy: -68.326 flat angles C4'-P-C4' energy: -52.086 flat angles P-C4'-P energy: -31.520 tors. eta vs tors. theta energy: 13.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1178.413797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.413797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.413797 (E_RNA) where: Base-Base interactions energy: -802.289 where: short stacking energy: -365.712 Base-Backbone interact. energy: -1.538 local terms energy: -374.585973 where: bonds (distance) C4'-P energy: -68.271 bonds (distance) P-C4' energy: -64.463 flat angles C4'-P-C4' energy: -78.321 flat angles P-C4'-P energy: -53.728 tors. eta vs tors. theta energy: -109.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1139.033396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.033396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.033396 (E_RNA) where: Base-Base interactions energy: -783.987 where: short stacking energy: -341.639 Base-Backbone interact. energy: -1.111 local terms energy: -353.935005 where: bonds (distance) C4'-P energy: -75.734 bonds (distance) P-C4' energy: -65.087 flat angles C4'-P-C4' energy: -76.553 flat angles P-C4'-P energy: -40.897 tors. eta vs tors. theta energy: -95.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1065.081805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.081805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.081805 (E_RNA) where: Base-Base interactions energy: -705.752 where: short stacking energy: -321.910 Base-Backbone interact. energy: 0.572 local terms energy: -359.901521 where: bonds (distance) C4'-P energy: -66.249 bonds (distance) P-C4' energy: -62.572 flat angles C4'-P-C4' energy: -83.359 flat angles P-C4'-P energy: -59.577 tors. eta vs tors. theta energy: -88.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1015.466593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.466593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.466593 (E_RNA) where: Base-Base interactions energy: -674.014 where: short stacking energy: -318.385 Base-Backbone interact. energy: 0.103 local terms energy: -341.554978 where: bonds (distance) C4'-P energy: -64.903 bonds (distance) P-C4' energy: -66.330 flat angles C4'-P-C4' energy: -70.376 flat angles P-C4'-P energy: -45.059 tors. eta vs tors. theta energy: -94.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -855.833152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.833152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.833152 (E_RNA) where: Base-Base interactions energy: -549.039 where: short stacking energy: -262.169 Base-Backbone interact. energy: -0.803 local terms energy: -305.990937 where: bonds (distance) C4'-P energy: -54.803 bonds (distance) P-C4' energy: -64.616 flat angles C4'-P-C4' energy: -72.305 flat angles P-C4'-P energy: -46.067 tors. eta vs tors. theta energy: -68.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -811.687951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.687951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.687951 (E_RNA) where: Base-Base interactions energy: -529.402 where: short stacking energy: -256.109 Base-Backbone interact. energy: 0.171 local terms energy: -282.457697 where: bonds (distance) C4'-P energy: -55.482 bonds (distance) P-C4' energy: -56.773 flat angles C4'-P-C4' energy: -72.981 flat angles P-C4'-P energy: -35.784 tors. eta vs tors. theta energy: -61.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -686.974037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.974037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.974037 (E_RNA) where: Base-Base interactions energy: -410.749 where: short stacking energy: -225.171 Base-Backbone interact. energy: -0.569 local terms energy: -275.655109 where: bonds (distance) C4'-P energy: -44.651 bonds (distance) P-C4' energy: -66.220 flat angles C4'-P-C4' energy: -68.290 flat angles P-C4'-P energy: -34.527 tors. eta vs tors. theta energy: -61.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -683.212572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.212572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.212572 (E_RNA) where: Base-Base interactions energy: -425.829 where: short stacking energy: -184.406 Base-Backbone interact. energy: -0.477 local terms energy: -256.905799 where: bonds (distance) C4'-P energy: -53.466 bonds (distance) P-C4' energy: -65.884 flat angles C4'-P-C4' energy: -61.046 flat angles P-C4'-P energy: -34.305 tors. eta vs tors. theta energy: -42.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -402.746198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.746198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.746198 (E_RNA) where: Base-Base interactions energy: -213.731 where: short stacking energy: -128.445 Base-Backbone interact. energy: -0.447 local terms energy: -188.568994 where: bonds (distance) C4'-P energy: -60.420 bonds (distance) P-C4' energy: -53.509 flat angles C4'-P-C4' energy: -53.733 flat angles P-C4'-P energy: -22.170 tors. eta vs tors. theta energy: 1.263 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: 333 Temperature: 1.350000 Total energy: -277.867573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.867573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.867573 (E_RNA) where: Base-Base interactions energy: -105.105 where: short stacking energy: -83.101 Base-Backbone interact. energy: -2.055 local terms energy: -170.707742 where: bonds (distance) C4'-P energy: -58.885 bonds (distance) P-C4' energy: -48.990 flat angles C4'-P-C4' energy: -49.652 flat angles P-C4'-P energy: -28.040 tors. eta vs tors. theta energy: 14.859 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: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1175.999075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.999075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.999075 (E_RNA) where: Base-Base interactions energy: -789.652 where: short stacking energy: -377.915 Base-Backbone interact. energy: 0.514 local terms energy: -386.861498 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -72.749 flat angles C4'-P-C4' energy: -76.568 flat angles P-C4'-P energy: -63.657 tors. eta vs tors. theta energy: -112.897 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: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1138.451272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.451272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.451272 (E_RNA) where: Base-Base interactions energy: -768.590 where: short stacking energy: -362.661 Base-Backbone interact. energy: -1.216 local terms energy: -368.645356 where: bonds (distance) C4'-P energy: -66.339 bonds (distance) P-C4' energy: -71.645 flat angles C4'-P-C4' energy: -72.939 flat angles P-C4'-P energy: -50.462 tors. eta vs tors. theta energy: -107.261 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: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1048.383120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.383120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.383120 (E_RNA) where: Base-Base interactions energy: -709.569 where: short stacking energy: -301.670 Base-Backbone interact. energy: -0.013 local terms energy: -338.800624 where: bonds (distance) C4'-P energy: -64.452 bonds (distance) P-C4' energy: -65.006 flat angles C4'-P-C4' energy: -77.035 flat angles P-C4'-P energy: -44.243 tors. eta vs tors. theta energy: -88.066 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: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1017.488502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.488502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.488502 (E_RNA) where: Base-Base interactions energy: -688.334 where: short stacking energy: -316.353 Base-Backbone interact. energy: 2.067 local terms energy: -331.222218 where: bonds (distance) C4'-P energy: -58.759 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -78.806 flat angles P-C4'-P energy: -49.173 tors. eta vs tors. theta energy: -79.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -838.958823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.958823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.958823 (E_RNA) where: Base-Base interactions energy: -531.627 where: short stacking energy: -245.364 Base-Backbone interact. energy: -0.616 local terms energy: -306.715866 where: bonds (distance) C4'-P energy: -65.903 bonds (distance) P-C4' energy: -62.304 flat angles C4'-P-C4' energy: -67.239 flat angles P-C4'-P energy: -51.430 tors. eta vs tors. theta energy: -59.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -851.278035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.278035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.278035 (E_RNA) where: Base-Base interactions energy: -563.001 where: short stacking energy: -256.921 Base-Backbone interact. energy: -0.177 local terms energy: -288.099897 where: bonds (distance) C4'-P energy: -63.244 bonds (distance) P-C4' energy: -67.129 flat angles C4'-P-C4' energy: -62.931 flat angles P-C4'-P energy: -31.516 tors. eta vs tors. theta energy: -63.280 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: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -645.662741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.662741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.662741 (E_RNA) where: Base-Base interactions energy: -387.712 where: short stacking energy: -200.419 Base-Backbone interact. energy: -0.674 local terms energy: -257.276422 where: bonds (distance) C4'-P energy: -61.952 bonds (distance) P-C4' energy: -62.513 flat angles C4'-P-C4' energy: -62.747 flat angles P-C4'-P energy: -35.269 tors. eta vs tors. theta energy: -34.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -592.004957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.004957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.004957 (E_RNA) where: Base-Base interactions energy: -370.947 where: short stacking energy: -183.063 Base-Backbone interact. energy: -1.670 local terms energy: -219.388191 where: bonds (distance) C4'-P energy: -42.593 bonds (distance) P-C4' energy: -59.048 flat angles C4'-P-C4' energy: -60.378 flat angles P-C4'-P energy: -32.006 tors. eta vs tors. theta energy: -25.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -377.910551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.910551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.910551 (E_RNA) where: Base-Base interactions energy: -177.068 where: short stacking energy: -113.337 Base-Backbone interact. energy: -0.802 local terms energy: -200.041020 where: bonds (distance) C4'-P energy: -54.341 bonds (distance) P-C4' energy: -57.786 flat angles C4'-P-C4' energy: -51.660 flat angles P-C4'-P energy: -34.666 tors. eta vs tors. theta energy: -1.587 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: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -306.398024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.398024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.398024 (E_RNA) where: Base-Base interactions energy: -114.054 where: short stacking energy: -97.158 Base-Backbone interact. energy: 0.873 local terms energy: -193.217663 where: bonds (distance) C4'-P energy: -59.827 bonds (distance) P-C4' energy: -55.506 flat angles C4'-P-C4' energy: -39.619 flat angles P-C4'-P energy: -42.383 tors. eta vs tors. theta energy: 4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1190.584073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.584073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.584073 (E_RNA) where: Base-Base interactions energy: -811.716 where: short stacking energy: -378.888 Base-Backbone interact. energy: -0.452 local terms energy: -378.415901 where: bonds (distance) C4'-P energy: -69.250 bonds (distance) P-C4' energy: -69.745 flat angles C4'-P-C4' energy: -74.560 flat angles P-C4'-P energy: -58.395 tors. eta vs tors. theta energy: -106.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1125.327602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.327602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.327602 (E_RNA) where: Base-Base interactions energy: -777.616 where: short stacking energy: -348.976 Base-Backbone interact. energy: 0.432 local terms energy: -348.143775 where: bonds (distance) C4'-P energy: -59.753 bonds (distance) P-C4' energy: -69.459 flat angles C4'-P-C4' energy: -77.105 flat angles P-C4'-P energy: -51.391 tors. eta vs tors. theta energy: -90.436 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: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1066.796362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.796362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.796362 (E_RNA) where: Base-Base interactions energy: -700.430 where: short stacking energy: -334.413 Base-Backbone interact. energy: -1.301 local terms energy: -365.066065 where: bonds (distance) C4'-P energy: -66.713 bonds (distance) P-C4' energy: -72.651 flat angles C4'-P-C4' energy: -80.710 flat angles P-C4'-P energy: -50.383 tors. eta vs tors. theta energy: -94.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1010.477990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.477990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.477990 (E_RNA) where: Base-Base interactions energy: -699.893 where: short stacking energy: -311.904 Base-Backbone interact. energy: -0.618 local terms energy: -309.966677 where: bonds (distance) C4'-P energy: -47.674 bonds (distance) P-C4' energy: -59.560 flat angles C4'-P-C4' energy: -71.813 flat angles P-C4'-P energy: -41.410 tors. eta vs tors. theta energy: -89.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -869.154231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.154231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.154231 (E_RNA) where: Base-Base interactions energy: -582.036 where: short stacking energy: -270.553 Base-Backbone interact. energy: -0.297 local terms energy: -286.821286 where: bonds (distance) C4'-P energy: -59.509 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -73.516 flat angles P-C4'-P energy: -40.096 tors. eta vs tors. theta energy: -55.397 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: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -842.165361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.165361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.165361 (E_RNA) where: Base-Base interactions energy: -549.384 where: short stacking energy: -237.601 Base-Backbone interact. energy: -1.073 local terms energy: -291.708849 where: bonds (distance) C4'-P energy: -59.231 bonds (distance) P-C4' energy: -70.170 flat angles C4'-P-C4' energy: -51.234 flat angles P-C4'-P energy: -38.323 tors. eta vs tors. theta energy: -72.751 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: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -631.279821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.279821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.279821 (E_RNA) where: Base-Base interactions energy: -372.174 where: short stacking energy: -200.631 Base-Backbone interact. energy: 1.856 local terms energy: -260.961162 where: bonds (distance) C4'-P energy: -59.159 bonds (distance) P-C4' energy: -57.878 flat angles C4'-P-C4' energy: -57.296 flat angles P-C4'-P energy: -44.394 tors. eta vs tors. theta energy: -42.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -659.759318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.759318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.759318 (E_RNA) where: Base-Base interactions energy: -414.456 where: short stacking energy: -192.121 Base-Backbone interact. energy: -1.385 local terms energy: -243.917913 where: bonds (distance) C4'-P energy: -55.724 bonds (distance) P-C4' energy: -56.619 flat angles C4'-P-C4' energy: -62.490 flat angles P-C4'-P energy: -37.539 tors. eta vs tors. theta energy: -31.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -343.886287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.886287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.886287 (E_RNA) where: Base-Base interactions energy: -146.941 where: short stacking energy: -100.015 Base-Backbone interact. energy: 3.976 local terms energy: -200.921564 where: bonds (distance) C4'-P energy: -64.076 bonds (distance) P-C4' energy: -59.702 flat angles C4'-P-C4' energy: -52.720 flat angles P-C4'-P energy: -31.200 tors. eta vs tors. theta energy: 6.776 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: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -308.052928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.052928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.052928 (E_RNA) where: Base-Base interactions energy: -121.186 where: short stacking energy: -97.349 Base-Backbone interact. energy: -0.811 local terms energy: -186.056571 where: bonds (distance) C4'-P energy: -47.165 bonds (distance) P-C4' energy: -48.367 flat angles C4'-P-C4' energy: -56.662 flat angles P-C4'-P energy: -37.025 tors. eta vs tors. theta energy: 3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1164.933616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.933616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.933616 (E_RNA) where: Base-Base interactions energy: -795.677 where: short stacking energy: -352.957 Base-Backbone interact. energy: -1.606 local terms energy: -367.650907 where: bonds (distance) C4'-P energy: -68.443 bonds (distance) P-C4' energy: -72.500 flat angles C4'-P-C4' energy: -78.427 flat angles P-C4'-P energy: -51.449 tors. eta vs tors. theta energy: -96.831 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: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1141.757974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.757974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.757974 (E_RNA) where: Base-Base interactions energy: -772.670 where: short stacking energy: -351.525 Base-Backbone interact. energy: 1.234 local terms energy: -370.322274 where: bonds (distance) C4'-P energy: -70.649 bonds (distance) P-C4' energy: -66.841 flat angles C4'-P-C4' energy: -76.847 flat angles P-C4'-P energy: -55.053 tors. eta vs tors. theta energy: -100.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1074.723738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.723738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.723738 (E_RNA) where: Base-Base interactions energy: -702.148 where: short stacking energy: -334.448 Base-Backbone interact. energy: -1.342 local terms energy: -371.234000 where: bonds (distance) C4'-P energy: -68.800 bonds (distance) P-C4' energy: -68.011 flat angles C4'-P-C4' energy: -80.332 flat angles P-C4'-P energy: -51.840 tors. eta vs tors. theta energy: -102.251 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: 4 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1017.700129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.700129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.700129 (E_RNA) where: Base-Base interactions energy: -665.906 where: short stacking energy: -324.365 Base-Backbone interact. energy: 0.783 local terms energy: -352.577171 where: bonds (distance) C4'-P energy: -64.834 bonds (distance) P-C4' energy: -70.089 flat angles C4'-P-C4' energy: -72.816 flat angles P-C4'-P energy: -51.204 tors. eta vs tors. theta energy: -93.634 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: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -911.667766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.667766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.667766 (E_RNA) where: Base-Base interactions energy: -603.145 where: short stacking energy: -303.268 Base-Backbone interact. energy: 1.807 local terms energy: -310.330311 where: bonds (distance) C4'-P energy: -60.571 bonds (distance) P-C4' energy: -61.018 flat angles C4'-P-C4' energy: -64.224 flat angles P-C4'-P energy: -42.471 tors. eta vs tors. theta energy: -82.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -824.666932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.666932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.666932 (E_RNA) where: Base-Base interactions energy: -544.093 where: short stacking energy: -242.669 Base-Backbone interact. energy: -1.057 local terms energy: -279.516984 where: bonds (distance) C4'-P energy: -61.536 bonds (distance) P-C4' energy: -58.854 flat angles C4'-P-C4' energy: -60.389 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -52.481 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: 2 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -667.940621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.940621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.940621 (E_RNA) where: Base-Base interactions energy: -412.960 where: short stacking energy: -195.811 Base-Backbone interact. energy: -1.920 local terms energy: -253.060612 where: bonds (distance) C4'-P energy: -56.024 bonds (distance) P-C4' energy: -52.641 flat angles C4'-P-C4' energy: -63.839 flat angles P-C4'-P energy: -40.873 tors. eta vs tors. theta energy: -39.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -595.088702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.088702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.088702 (E_RNA) where: Base-Base interactions energy: -340.699 where: short stacking energy: -183.123 Base-Backbone interact. energy: -1.759 local terms energy: -252.630644 where: bonds (distance) C4'-P energy: -63.301 bonds (distance) P-C4' energy: -64.751 flat angles C4'-P-C4' energy: -63.156 flat angles P-C4'-P energy: -37.881 tors. eta vs tors. theta energy: -23.541 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: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -290.864702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.864702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.864702 (E_RNA) where: Base-Base interactions energy: -104.730 where: short stacking energy: -89.641 Base-Backbone interact. energy: -0.446 local terms energy: -185.688139 where: bonds (distance) C4'-P energy: -54.353 bonds (distance) P-C4' energy: -64.710 flat angles C4'-P-C4' energy: -45.468 flat angles P-C4'-P energy: -31.349 tors. eta vs tors. theta energy: 10.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -274.521844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.521844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.521844 (E_RNA) where: Base-Base interactions energy: -93.250 where: short stacking energy: -61.549 Base-Backbone interact. energy: 3.033 local terms energy: -184.305030 where: bonds (distance) C4'-P energy: -64.035 bonds (distance) P-C4' energy: -67.351 flat angles C4'-P-C4' energy: -50.437 flat angles P-C4'-P energy: -25.019 tors. eta vs tors. theta energy: 22.536 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: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1173.873222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.873222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.873222 (E_RNA) where: Base-Base interactions energy: -797.716 where: short stacking energy: -355.477 Base-Backbone interact. energy: -1.889 local terms energy: -374.268378 where: bonds (distance) C4'-P energy: -71.384 bonds (distance) P-C4' energy: -73.554 flat angles C4'-P-C4' energy: -84.476 flat angles P-C4'-P energy: -47.006 tors. eta vs tors. theta energy: -97.849 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: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1156.114084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.114084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.114084 (E_RNA) where: Base-Base interactions energy: -786.334 where: short stacking energy: -374.422 Base-Backbone interact. energy: -0.798 local terms energy: -368.982084 where: bonds (distance) C4'-P energy: -71.903 bonds (distance) P-C4' energy: -59.541 flat angles C4'-P-C4' energy: -72.373 flat angles P-C4'-P energy: -55.928 tors. eta vs tors. theta energy: -109.237 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: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1034.935241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.935241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.935241 (E_RNA) where: Base-Base interactions energy: -691.922 where: short stacking energy: -320.798 Base-Backbone interact. energy: -0.867 local terms energy: -342.146459 where: bonds (distance) C4'-P energy: -65.326 bonds (distance) P-C4' energy: -60.768 flat angles C4'-P-C4' energy: -77.200 flat angles P-C4'-P energy: -51.902 tors. eta vs tors. theta energy: -86.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -998.310915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.310915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.310915 (E_RNA) where: Base-Base interactions energy: -673.317 where: short stacking energy: -312.930 Base-Backbone interact. energy: -1.283 local terms energy: -323.710924 where: bonds (distance) C4'-P energy: -59.438 bonds (distance) P-C4' energy: -69.789 flat angles C4'-P-C4' energy: -70.200 flat angles P-C4'-P energy: -42.577 tors. eta vs tors. theta energy: -81.707 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: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -900.798954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.798954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.798954 (E_RNA) where: Base-Base interactions energy: -593.503 where: short stacking energy: -304.284 Base-Backbone interact. energy: -1.000 local terms energy: -306.295866 where: bonds (distance) C4'-P energy: -52.928 bonds (distance) P-C4' energy: -63.203 flat angles C4'-P-C4' energy: -72.277 flat angles P-C4'-P energy: -37.910 tors. eta vs tors. theta energy: -79.978 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: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -822.049281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.049281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.049281 (E_RNA) where: Base-Base interactions energy: -548.185 where: short stacking energy: -250.223 Base-Backbone interact. energy: 0.080 local terms energy: -273.943437 where: bonds (distance) C4'-P energy: -50.491 bonds (distance) P-C4' energy: -57.974 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -44.154 tors. eta vs tors. theta energy: -55.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -594.353786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.353786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.353786 (E_RNA) where: Base-Base interactions energy: -357.882 where: short stacking energy: -173.215 Base-Backbone interact. energy: -1.434 local terms energy: -235.037152 where: bonds (distance) C4'-P energy: -56.840 bonds (distance) P-C4' energy: -52.989 flat angles C4'-P-C4' energy: -57.245 flat angles P-C4'-P energy: -39.365 tors. eta vs tors. theta energy: -28.598 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: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -604.016125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.016125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.016125 (E_RNA) where: Base-Base interactions energy: -347.402 where: short stacking energy: -171.995 Base-Backbone interact. energy: -0.939 local terms energy: -255.675461 where: bonds (distance) C4'-P energy: -52.477 bonds (distance) P-C4' energy: -51.534 flat angles C4'-P-C4' energy: -64.761 flat angles P-C4'-P energy: -45.806 tors. eta vs tors. theta energy: -41.098 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: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -302.062285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.062285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.062285 (E_RNA) where: Base-Base interactions energy: -99.388 where: short stacking energy: -94.221 Base-Backbone interact. energy: -0.541 local terms energy: -202.133211 where: bonds (distance) C4'-P energy: -66.385 bonds (distance) P-C4' energy: -58.214 flat angles C4'-P-C4' energy: -54.358 flat angles P-C4'-P energy: -28.631 tors. eta vs tors. theta energy: 5.455 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: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -339.123722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.123722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.123722 (E_RNA) where: Base-Base interactions energy: -140.018 where: short stacking energy: -93.086 Base-Backbone interact. energy: -1.145 local terms energy: -197.961037 where: bonds (distance) C4'-P energy: -59.939 bonds (distance) P-C4' energy: -53.236 flat angles C4'-P-C4' energy: -42.490 flat angles P-C4'-P energy: -37.185 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1172.674510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.674510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.674510 (E_RNA) where: Base-Base interactions energy: -795.556 where: short stacking energy: -346.138 Base-Backbone interact. energy: -1.777 local terms energy: -375.341563 where: bonds (distance) C4'-P energy: -73.181 bonds (distance) P-C4' energy: -67.677 flat angles C4'-P-C4' energy: -79.428 flat angles P-C4'-P energy: -53.954 tors. eta vs tors. theta energy: -101.101 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: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1133.314290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.314290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.314290 (E_RNA) where: Base-Base interactions energy: -766.102 where: short stacking energy: -354.765 Base-Backbone interact. energy: -0.448 local terms energy: -366.764510 where: bonds (distance) C4'-P energy: -59.606 bonds (distance) P-C4' energy: -72.037 flat angles C4'-P-C4' energy: -73.961 flat angles P-C4'-P energy: -54.806 tors. eta vs tors. theta energy: -106.354 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: 338 Temperature: 1.000000 Total energy: -1062.400553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.400553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.400553 (E_RNA) where: Base-Base interactions energy: -716.490 where: short stacking energy: -324.991 Base-Backbone interact. energy: -1.248 local terms energy: -344.662460 where: bonds (distance) C4'-P energy: -64.035 bonds (distance) P-C4' energy: -69.135 flat angles C4'-P-C4' energy: -72.721 flat angles P-C4'-P energy: -51.328 tors. eta vs tors. theta energy: -87.444 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: 4 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1030.850293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.850293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.850293 (E_RNA) where: Base-Base interactions energy: -674.773 where: short stacking energy: -323.219 Base-Backbone interact. energy: -0.933 local terms energy: -355.144866 where: bonds (distance) C4'-P energy: -62.805 bonds (distance) P-C4' energy: -75.347 flat angles C4'-P-C4' energy: -70.062 flat angles P-C4'-P energy: -53.558 tors. eta vs tors. theta energy: -93.372 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: 9 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -920.961284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.961284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.961284 (E_RNA) where: Base-Base interactions energy: -593.271 where: short stacking energy: -278.179 Base-Backbone interact. energy: 0.197 local terms energy: -327.887185 where: bonds (distance) C4'-P energy: -66.524 bonds (distance) P-C4' energy: -64.256 flat angles C4'-P-C4' energy: -74.979 flat angles P-C4'-P energy: -51.670 tors. eta vs tors. theta energy: -70.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -844.457620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.457620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.457620 (E_RNA) where: Base-Base interactions energy: -549.596 where: short stacking energy: -259.788 Base-Backbone interact. energy: -0.459 local terms energy: -294.402489 where: bonds (distance) C4'-P energy: -56.051 bonds (distance) P-C4' energy: -66.142 flat angles C4'-P-C4' energy: -62.342 flat angles P-C4'-P energy: -43.510 tors. eta vs tors. theta energy: -66.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -609.434230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.434230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.434230 (E_RNA) where: Base-Base interactions energy: -368.508 where: short stacking energy: -200.426 Base-Backbone interact. energy: -0.620 local terms energy: -240.306056 where: bonds (distance) C4'-P energy: -55.100 bonds (distance) P-C4' energy: -62.859 flat angles C4'-P-C4' energy: -50.338 flat angles P-C4'-P energy: -32.550 tors. eta vs tors. theta energy: -39.460 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: 6 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -592.706420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.706420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.706420 (E_RNA) where: Base-Base interactions energy: -347.244 where: short stacking energy: -188.084 Base-Backbone interact. energy: -0.926 local terms energy: -244.536484 where: bonds (distance) C4'-P energy: -59.272 bonds (distance) P-C4' energy: -52.868 flat angles C4'-P-C4' energy: -57.630 flat angles P-C4'-P energy: -25.345 tors. eta vs tors. theta energy: -49.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -349.710394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.710394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.710394 (E_RNA) where: Base-Base interactions energy: -146.135 where: short stacking energy: -120.581 Base-Backbone interact. energy: -0.357 local terms energy: -203.218700 where: bonds (distance) C4'-P energy: -51.847 bonds (distance) P-C4' energy: -66.142 flat angles C4'-P-C4' energy: -46.094 flat angles P-C4'-P energy: -29.119 tors. eta vs tors. theta energy: -10.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -309.006812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.006812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.006812 (E_RNA) where: Base-Base interactions energy: -116.951 where: short stacking energy: -78.475 Base-Backbone interact. energy: -0.650 local terms energy: -191.406231 where: bonds (distance) C4'-P energy: -57.036 bonds (distance) P-C4' energy: -62.712 flat angles C4'-P-C4' energy: -50.183 flat angles P-C4'-P energy: -23.901 tors. eta vs tors. theta energy: 2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1174.155459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.155459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.155459 (E_RNA) where: Base-Base interactions energy: -806.112 where: short stacking energy: -343.605 Base-Backbone interact. energy: -1.171 local terms energy: -366.872537 where: bonds (distance) C4'-P energy: -76.640 bonds (distance) P-C4' energy: -68.039 flat angles C4'-P-C4' energy: -77.335 flat angles P-C4'-P energy: -41.262 tors. eta vs tors. theta energy: -103.596 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: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1167.191300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.191300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.191300 (E_RNA) where: Base-Base interactions energy: -771.695 where: short stacking energy: -363.209 Base-Backbone interact. energy: -1.343 local terms energy: -394.153054 where: bonds (distance) C4'-P energy: -72.911 bonds (distance) P-C4' energy: -69.233 flat angles C4'-P-C4' energy: -84.064 flat angles P-C4'-P energy: -57.343 tors. eta vs tors. theta energy: -110.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1037.057399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.057399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.057399 (E_RNA) where: Base-Base interactions energy: -677.660 where: short stacking energy: -339.910 Base-Backbone interact. energy: -1.409 local terms energy: -357.988019 where: bonds (distance) C4'-P energy: -60.400 bonds (distance) P-C4' energy: -72.157 flat angles C4'-P-C4' energy: -75.704 flat angles P-C4'-P energy: -49.032 tors. eta vs tors. theta energy: -100.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1051.863895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.863895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.863895 (E_RNA) where: Base-Base interactions energy: -697.461 where: short stacking energy: -340.479 Base-Backbone interact. energy: -0.295 local terms energy: -354.107465 where: bonds (distance) C4'-P energy: -67.924 bonds (distance) P-C4' energy: -61.929 flat angles C4'-P-C4' energy: -77.245 flat angles P-C4'-P energy: -49.845 tors. eta vs tors. theta energy: -97.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -930.239445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.239445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.239445 (E_RNA) where: Base-Base interactions energy: -616.954 where: short stacking energy: -296.372 Base-Backbone interact. energy: -0.094 local terms energy: -313.192034 where: bonds (distance) C4'-P energy: -51.283 bonds (distance) P-C4' energy: -62.276 flat angles C4'-P-C4' energy: -71.661 flat angles P-C4'-P energy: -47.252 tors. eta vs tors. theta energy: -80.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -868.070197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.070197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.070197 (E_RNA) where: Base-Base interactions energy: -566.025 where: short stacking energy: -267.652 Base-Backbone interact. energy: -1.733 local terms energy: -300.312923 where: bonds (distance) C4'-P energy: -45.640 bonds (distance) P-C4' energy: -62.217 flat angles C4'-P-C4' energy: -75.545 flat angles P-C4'-P energy: -43.236 tors. eta vs tors. theta energy: -73.675 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: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -575.462690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.462690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.462690 (E_RNA) where: Base-Base interactions energy: -314.280 where: short stacking energy: -164.557 Base-Backbone interact. energy: -1.209 local terms energy: -259.974212 where: bonds (distance) C4'-P energy: -59.944 bonds (distance) P-C4' energy: -65.987 flat angles C4'-P-C4' energy: -63.677 flat angles P-C4'-P energy: -36.604 tors. eta vs tors. theta energy: -33.762 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: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -616.617837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.617837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.617837 (E_RNA) where: Base-Base interactions energy: -359.634 where: short stacking energy: -194.693 Base-Backbone interact. energy: 1.404 local terms energy: -258.386943 where: bonds (distance) C4'-P energy: -49.189 bonds (distance) P-C4' energy: -60.771 flat angles C4'-P-C4' energy: -62.584 flat angles P-C4'-P energy: -40.814 tors. eta vs tors. theta energy: -45.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -332.814104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.814104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.814104 (E_RNA) where: Base-Base interactions energy: -133.288 where: short stacking energy: -116.763 Base-Backbone interact. energy: -0.379 local terms energy: -199.147220 where: bonds (distance) C4'-P energy: -52.275 bonds (distance) P-C4' energy: -58.422 flat angles C4'-P-C4' energy: -54.759 flat angles P-C4'-P energy: -26.099 tors. eta vs tors. theta energy: -7.591 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: 10, replica: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -292.299114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.299114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.299114 (E_RNA) where: Base-Base interactions energy: -107.635 where: short stacking energy: -86.335 Base-Backbone interact. energy: -1.114 local terms energy: -183.550584 where: bonds (distance) C4'-P energy: -60.211 bonds (distance) P-C4' energy: -60.841 flat angles C4'-P-C4' energy: -35.858 flat angles P-C4'-P energy: -32.964 tors. eta vs tors. theta energy: 6.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1180.858649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.858649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.858649 (E_RNA) where: Base-Base interactions energy: -801.225 where: short stacking energy: -361.259 Base-Backbone interact. energy: -3.219 local terms energy: -376.414383 where: bonds (distance) C4'-P energy: -73.526 bonds (distance) P-C4' energy: -73.848 flat angles C4'-P-C4' energy: -73.760 flat angles P-C4'-P energy: -49.212 tors. eta vs tors. theta energy: -106.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1134.151124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.151124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.151124 (E_RNA) where: Base-Base interactions energy: -759.539 where: short stacking energy: -374.643 Base-Backbone interact. energy: 1.709 local terms energy: -376.321824 where: bonds (distance) C4'-P energy: -66.650 bonds (distance) P-C4' energy: -66.284 flat angles C4'-P-C4' energy: -80.576 flat angles P-C4'-P energy: -47.895 tors. eta vs tors. theta energy: -114.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1066.452256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.452256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.452256 (E_RNA) where: Base-Base interactions energy: -696.591 where: short stacking energy: -336.609 Base-Backbone interact. energy: -1.608 local terms energy: -368.253383 where: bonds (distance) C4'-P energy: -65.894 bonds (distance) P-C4' energy: -77.021 flat angles C4'-P-C4' energy: -73.020 flat angles P-C4'-P energy: -57.745 tors. eta vs tors. theta energy: -94.574 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: 340 Temperature: 1.050000 Total energy: -1000.183318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.183318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.183318 (E_RNA) where: Base-Base interactions energy: -659.930 where: short stacking energy: -311.192 Base-Backbone interact. energy: -0.515 local terms energy: -339.738501 where: bonds (distance) C4'-P energy: -63.590 bonds (distance) P-C4' energy: -68.200 flat angles C4'-P-C4' energy: -67.746 flat angles P-C4'-P energy: -49.429 tors. eta vs tors. theta energy: -90.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -904.021033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.021033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.021033 (E_RNA) where: Base-Base interactions energy: -565.560 where: short stacking energy: -256.172 Base-Backbone interact. energy: -1.360 local terms energy: -337.100971 where: bonds (distance) C4'-P energy: -66.917 bonds (distance) P-C4' energy: -62.081 flat angles C4'-P-C4' energy: -82.865 flat angles P-C4'-P energy: -47.414 tors. eta vs tors. theta energy: -77.824 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: 9 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -867.398979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.398979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.398979 (E_RNA) where: Base-Base interactions energy: -561.950 where: short stacking energy: -259.370 Base-Backbone interact. energy: -0.954 local terms energy: -304.494535 where: bonds (distance) C4'-P energy: -62.546 bonds (distance) P-C4' energy: -65.526 flat angles C4'-P-C4' energy: -63.757 flat angles P-C4'-P energy: -43.062 tors. eta vs tors. theta energy: -69.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -655.916265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.916265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.916265 (E_RNA) where: Base-Base interactions energy: -370.150 where: short stacking energy: -205.410 Base-Backbone interact. energy: -0.859 local terms energy: -284.907289 where: bonds (distance) C4'-P energy: -70.084 bonds (distance) P-C4' energy: -60.737 flat angles C4'-P-C4' energy: -58.301 flat angles P-C4'-P energy: -46.512 tors. eta vs tors. theta energy: -49.274 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: 340 Temperature: 1.250000 Total energy: -557.488952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.488952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.488952 (E_RNA) where: Base-Base interactions energy: -331.742 where: short stacking energy: -167.396 Base-Backbone interact. energy: 0.233 local terms energy: -225.979768 where: bonds (distance) C4'-P energy: -61.808 bonds (distance) P-C4' energy: -58.003 flat angles C4'-P-C4' energy: -46.731 flat angles P-C4'-P energy: -33.928 tors. eta vs tors. theta energy: -25.510 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: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -342.460783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.460783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.460783 (E_RNA) where: Base-Base interactions energy: -118.783 where: short stacking energy: -96.840 Base-Backbone interact. energy: 2.675 local terms energy: -226.353068 where: bonds (distance) C4'-P energy: -54.376 bonds (distance) P-C4' energy: -73.205 flat angles C4'-P-C4' energy: -49.220 flat angles P-C4'-P energy: -37.942 tors. eta vs tors. theta energy: -11.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -341.357559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.357559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.357559 (E_RNA) where: Base-Base interactions energy: -148.217 where: short stacking energy: -100.219 Base-Backbone interact. energy: 1.311 local terms energy: -194.451897 where: bonds (distance) C4'-P energy: -54.304 bonds (distance) P-C4' energy: -58.202 flat angles C4'-P-C4' energy: -57.888 flat angles P-C4'-P energy: -27.960 tors. eta vs tors. theta energy: 3.903 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: 1, replica: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1185.752960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.752960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.752960 (E_RNA) where: Base-Base interactions energy: -809.217 where: short stacking energy: -356.546 Base-Backbone interact. energy: -2.560 local terms energy: -373.976480 where: bonds (distance) C4'-P energy: -65.707 bonds (distance) P-C4' energy: -71.986 flat angles C4'-P-C4' energy: -81.489 flat angles P-C4'-P energy: -46.576 tors. eta vs tors. theta energy: -108.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1115.468985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.468985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.468985 (E_RNA) where: Base-Base interactions energy: -750.946 where: short stacking energy: -353.136 Base-Backbone interact. energy: 0.314 local terms energy: -364.836876 where: bonds (distance) C4'-P energy: -66.698 bonds (distance) P-C4' energy: -70.041 flat angles C4'-P-C4' energy: -77.828 flat angles P-C4'-P energy: -48.447 tors. eta vs tors. theta energy: -101.824 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: 3, replica: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1074.356691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.356691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.356691 (E_RNA) where: Base-Base interactions energy: -698.038 where: short stacking energy: -330.236 Base-Backbone interact. energy: -0.879 local terms energy: -375.439695 where: bonds (distance) C4'-P energy: -67.109 bonds (distance) P-C4' energy: -70.254 flat angles C4'-P-C4' energy: -83.344 flat angles P-C4'-P energy: -53.705 tors. eta vs tors. theta energy: -101.028 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: 341 Temperature: 1.050000 Total energy: -958.936200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.936200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.936200 (E_RNA) where: Base-Base interactions energy: -623.380 where: short stacking energy: -298.952 Base-Backbone interact. energy: -0.087 local terms energy: -335.468691 where: bonds (distance) C4'-P energy: -64.467 bonds (distance) P-C4' energy: -70.037 flat angles C4'-P-C4' energy: -73.827 flat angles P-C4'-P energy: -43.415 tors. eta vs tors. theta energy: -83.723 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: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -915.505742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.505742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.505742 (E_RNA) where: Base-Base interactions energy: -609.020 where: short stacking energy: -266.876 Base-Backbone interact. energy: -2.234 local terms energy: -304.251910 where: bonds (distance) C4'-P energy: -72.226 bonds (distance) P-C4' energy: -61.574 flat angles C4'-P-C4' energy: -61.511 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -67.239 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: 341 Temperature: 1.150000 Total energy: -894.891070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.891070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.891070 (E_RNA) where: Base-Base interactions energy: -612.903 where: short stacking energy: -282.124 Base-Backbone interact. energy: -0.952 local terms energy: -281.035112 where: bonds (distance) C4'-P energy: -52.137 bonds (distance) P-C4' energy: -70.480 flat angles C4'-P-C4' energy: -59.014 flat angles P-C4'-P energy: -35.269 tors. eta vs tors. theta energy: -64.134 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: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -668.036011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.036011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.036011 (E_RNA) where: Base-Base interactions energy: -409.305 where: short stacking energy: -238.968 Base-Backbone interact. energy: -0.487 local terms energy: -258.243965 where: bonds (distance) C4'-P energy: -53.623 bonds (distance) P-C4' energy: -44.254 flat angles C4'-P-C4' energy: -59.274 flat angles P-C4'-P energy: -41.868 tors. eta vs tors. theta energy: -59.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -530.493715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.493715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.493715 (E_RNA) where: Base-Base interactions energy: -304.907 where: short stacking energy: -156.065 Base-Backbone interact. energy: 0.932 local terms energy: -226.518873 where: bonds (distance) C4'-P energy: -58.182 bonds (distance) P-C4' energy: -60.272 flat angles C4'-P-C4' energy: -53.741 flat angles P-C4'-P energy: -37.015 tors. eta vs tors. theta energy: -17.308 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: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -346.116182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.116182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.116182 (E_RNA) where: Base-Base interactions energy: -161.076 where: short stacking energy: -98.705 Base-Backbone interact. energy: 0.316 local terms energy: -185.356294 where: bonds (distance) C4'-P energy: -48.017 bonds (distance) P-C4' energy: -56.491 flat angles C4'-P-C4' energy: -53.545 flat angles P-C4'-P energy: -32.155 tors. eta vs tors. theta energy: 4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -369.165119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.165119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.165119 (E_RNA) where: Base-Base interactions energy: -142.543 where: short stacking energy: -88.048 Base-Backbone interact. energy: 3.330 local terms energy: -229.951526 where: bonds (distance) C4'-P energy: -56.306 bonds (distance) P-C4' energy: -70.231 flat angles C4'-P-C4' energy: -62.469 flat angles P-C4'-P energy: -34.647 tors. eta vs tors. theta energy: -6.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1171.421767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.421767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.421767 (E_RNA) where: Base-Base interactions energy: -801.548 where: short stacking energy: -356.479 Base-Backbone interact. energy: 0.204 local terms energy: -370.078242 where: bonds (distance) C4'-P energy: -67.214 bonds (distance) P-C4' energy: -74.756 flat angles C4'-P-C4' energy: -80.595 flat angles P-C4'-P energy: -47.800 tors. eta vs tors. theta energy: -99.714 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: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1131.551028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.551028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.551028 (E_RNA) where: Base-Base interactions energy: -764.944 where: short stacking energy: -378.871 Base-Backbone interact. energy: -1.350 local terms energy: -365.257082 where: bonds (distance) C4'-P energy: -57.188 bonds (distance) P-C4' energy: -57.992 flat angles C4'-P-C4' energy: -77.975 flat angles P-C4'-P energy: -61.186 tors. eta vs tors. theta energy: -110.916 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: 3, replica: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1046.378871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.378871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.378871 (E_RNA) where: Base-Base interactions energy: -697.036 where: short stacking energy: -333.679 Base-Backbone interact. energy: 1.041 local terms energy: -350.383409 where: bonds (distance) C4'-P energy: -52.399 bonds (distance) P-C4' energy: -74.695 flat angles C4'-P-C4' energy: -75.277 flat angles P-C4'-P energy: -52.933 tors. eta vs tors. theta energy: -95.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -997.909063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.909063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.909063 (E_RNA) where: Base-Base interactions energy: -679.769 where: short stacking energy: -309.325 Base-Backbone interact. energy: -0.830 local terms energy: -317.310639 where: bonds (distance) C4'-P energy: -58.047 bonds (distance) P-C4' energy: -57.977 flat angles C4'-P-C4' energy: -63.819 flat angles P-C4'-P energy: -50.730 tors. eta vs tors. theta energy: -86.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -903.493851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.493851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.493851 (E_RNA) where: Base-Base interactions energy: -590.055 where: short stacking energy: -261.502 Base-Backbone interact. energy: -0.529 local terms energy: -312.910300 where: bonds (distance) C4'-P energy: -66.431 bonds (distance) P-C4' energy: -66.748 flat angles C4'-P-C4' energy: -68.522 flat angles P-C4'-P energy: -45.107 tors. eta vs tors. theta energy: -66.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -892.473071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.473071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.473071 (E_RNA) where: Base-Base interactions energy: -602.702 where: short stacking energy: -261.691 Base-Backbone interact. energy: -0.866 local terms energy: -288.905238 where: bonds (distance) C4'-P energy: -61.465 bonds (distance) P-C4' energy: -46.553 flat angles C4'-P-C4' energy: -71.692 flat angles P-C4'-P energy: -40.645 tors. eta vs tors. theta energy: -68.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -640.714860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.714860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.714860 (E_RNA) where: Base-Base interactions energy: -373.861 where: short stacking energy: -209.710 Base-Backbone interact. energy: -0.400 local terms energy: -266.454273 where: bonds (distance) C4'-P energy: -64.127 bonds (distance) P-C4' energy: -58.297 flat angles C4'-P-C4' energy: -50.751 flat angles P-C4'-P energy: -42.134 tors. eta vs tors. theta energy: -51.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -555.167283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.167283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.167283 (E_RNA) where: Base-Base interactions energy: -314.068 where: short stacking energy: -156.513 Base-Backbone interact. energy: -0.407 local terms energy: -240.692412 where: bonds (distance) C4'-P energy: -55.921 bonds (distance) P-C4' energy: -61.459 flat angles C4'-P-C4' energy: -62.213 flat angles P-C4'-P energy: -40.358 tors. eta vs tors. theta energy: -20.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -382.153913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.153913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.153913 (E_RNA) where: Base-Base interactions energy: -171.662 where: short stacking energy: -115.352 Base-Backbone interact. energy: -1.846 local terms energy: -208.645729 where: bonds (distance) C4'-P energy: -67.780 bonds (distance) P-C4' energy: -52.787 flat angles C4'-P-C4' energy: -57.452 flat angles P-C4'-P energy: -27.688 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -380.631913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.631913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.631913 (E_RNA) where: Base-Base interactions energy: -172.723 where: short stacking energy: -101.631 Base-Backbone interact. energy: -1.530 local terms energy: -206.378740 where: bonds (distance) C4'-P energy: -64.319 bonds (distance) P-C4' energy: -61.184 flat angles C4'-P-C4' energy: -59.531 flat angles P-C4'-P energy: -28.035 tors. eta vs tors. theta energy: 6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1189.047101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.047101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.047101 (E_RNA) where: Base-Base interactions energy: -807.828 where: short stacking energy: -354.809 Base-Backbone interact. energy: -2.853 local terms energy: -378.366640 where: bonds (distance) C4'-P energy: -63.894 bonds (distance) P-C4' energy: -72.578 flat angles C4'-P-C4' energy: -80.991 flat angles P-C4'-P energy: -54.905 tors. eta vs tors. theta energy: -105.999 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: 2, replica: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1146.467915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.467915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.467915 (E_RNA) where: Base-Base interactions energy: -768.240 where: short stacking energy: -375.580 Base-Backbone interact. energy: -0.598 local terms energy: -377.629798 where: bonds (distance) C4'-P energy: -60.802 bonds (distance) P-C4' energy: -78.390 flat angles C4'-P-C4' energy: -78.069 flat angles P-C4'-P energy: -49.835 tors. eta vs tors. theta energy: -110.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1084.942960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.942960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.942960 (E_RNA) where: Base-Base interactions energy: -728.763 where: short stacking energy: -346.942 Base-Backbone interact. energy: 4.834 local terms energy: -361.014026 where: bonds (distance) C4'-P energy: -65.128 bonds (distance) P-C4' energy: -68.216 flat angles C4'-P-C4' energy: -72.705 flat angles P-C4'-P energy: -52.286 tors. eta vs tors. theta energy: -102.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -981.499389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.499389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.499389 (E_RNA) where: Base-Base interactions energy: -641.868 where: short stacking energy: -299.830 Base-Backbone interact. energy: -0.397 local terms energy: -339.235013 where: bonds (distance) C4'-P energy: -69.411 bonds (distance) P-C4' energy: -67.869 flat angles C4'-P-C4' energy: -66.669 flat angles P-C4'-P energy: -49.528 tors. eta vs tors. theta energy: -85.759 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: 343 Temperature: 1.100000 Total energy: -891.582048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.582048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.582048 (E_RNA) where: Base-Base interactions energy: -591.815 where: short stacking energy: -268.465 Base-Backbone interact. energy: -0.264 local terms energy: -299.503198 where: bonds (distance) C4'-P energy: -62.913 bonds (distance) P-C4' energy: -61.309 flat angles C4'-P-C4' energy: -59.984 flat angles P-C4'-P energy: -45.093 tors. eta vs tors. theta energy: -70.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -896.209843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.209843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.209843 (E_RNA) where: Base-Base interactions energy: -574.949 where: short stacking energy: -270.813 Base-Backbone interact. energy: -1.989 local terms energy: -319.271702 where: bonds (distance) C4'-P energy: -58.003 bonds (distance) P-C4' energy: -60.989 flat angles C4'-P-C4' energy: -62.693 flat angles P-C4'-P energy: -50.653 tors. eta vs tors. theta energy: -86.935 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: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -654.368138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.368138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.368138 (E_RNA) where: Base-Base interactions energy: -390.579 where: short stacking energy: -196.734 Base-Backbone interact. energy: -0.688 local terms energy: -263.101240 where: bonds (distance) C4'-P energy: -53.898 bonds (distance) P-C4' energy: -59.383 flat angles C4'-P-C4' energy: -62.396 flat angles P-C4'-P energy: -39.122 tors. eta vs tors. theta energy: -48.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -552.801253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.801253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.801253 (E_RNA) where: Base-Base interactions energy: -324.941 where: short stacking energy: -153.154 Base-Backbone interact. energy: -0.624 local terms energy: -227.236452 where: bonds (distance) C4'-P energy: -44.319 bonds (distance) P-C4' energy: -50.337 flat angles C4'-P-C4' energy: -68.488 flat angles P-C4'-P energy: -50.267 tors. eta vs tors. theta energy: -13.826 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: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -418.093177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.093177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.093177 (E_RNA) where: Base-Base interactions energy: -204.015 where: short stacking energy: -130.550 Base-Backbone interact. energy: -2.106 local terms energy: -211.971938 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -54.604 flat angles C4'-P-C4' energy: -55.268 flat angles P-C4'-P energy: -27.502 tors. eta vs tors. theta energy: -16.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -380.374257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.374257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.374257 (E_RNA) where: Base-Base interactions energy: -189.270 where: short stacking energy: -113.704 Base-Backbone interact. energy: 0.571 local terms energy: -191.675446 where: bonds (distance) C4'-P energy: -49.472 bonds (distance) P-C4' energy: -52.438 flat angles C4'-P-C4' energy: -48.433 flat angles P-C4'-P energy: -37.420 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1174.458174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.458174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.458174 (E_RNA) where: Base-Base interactions energy: -805.135 where: short stacking energy: -369.084 Base-Backbone interact. energy: 0.617 local terms energy: -369.940713 where: bonds (distance) C4'-P energy: -66.423 bonds (distance) P-C4' energy: -69.020 flat angles C4'-P-C4' energy: -84.250 flat angles P-C4'-P energy: -52.305 tors. eta vs tors. theta energy: -97.944 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: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1125.251104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.251104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.251104 (E_RNA) where: Base-Base interactions energy: -751.689 where: short stacking energy: -355.151 Base-Backbone interact. energy: -0.543 local terms energy: -373.019115 where: bonds (distance) C4'-P energy: -65.789 bonds (distance) P-C4' energy: -63.557 flat angles C4'-P-C4' energy: -81.881 flat angles P-C4'-P energy: -52.977 tors. eta vs tors. theta energy: -108.815 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: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1037.290072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.290072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.290072 (E_RNA) where: Base-Base interactions energy: -676.854 where: short stacking energy: -315.395 Base-Backbone interact. energy: -0.492 local terms energy: -359.943969 where: bonds (distance) C4'-P energy: -71.282 bonds (distance) P-C4' energy: -60.779 flat angles C4'-P-C4' energy: -74.176 flat angles P-C4'-P energy: -54.196 tors. eta vs tors. theta energy: -99.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1055.383475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.383475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.383475 (E_RNA) where: Base-Base interactions energy: -689.251 where: short stacking energy: -347.245 Base-Backbone interact. energy: 0.935 local terms energy: -367.067182 where: bonds (distance) C4'-P energy: -54.071 bonds (distance) P-C4' energy: -76.691 flat angles C4'-P-C4' energy: -75.834 flat angles P-C4'-P energy: -51.868 tors. eta vs tors. theta energy: -108.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -920.264687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.264687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.264687 (E_RNA) where: Base-Base interactions energy: -621.288 where: short stacking energy: -271.341 Base-Backbone interact. energy: -0.573 local terms energy: -298.403595 where: bonds (distance) C4'-P energy: -64.926 bonds (distance) P-C4' energy: -58.921 flat angles C4'-P-C4' energy: -67.524 flat angles P-C4'-P energy: -39.110 tors. eta vs tors. theta energy: -67.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -878.417758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.417758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.417758 (E_RNA) where: Base-Base interactions energy: -576.705 where: short stacking energy: -270.393 Base-Backbone interact. energy: -1.546 local terms energy: -300.167125 where: bonds (distance) C4'-P energy: -58.195 bonds (distance) P-C4' energy: -63.432 flat angles C4'-P-C4' energy: -68.149 flat angles P-C4'-P energy: -44.050 tors. eta vs tors. theta energy: -66.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -661.732968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.732968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.732968 (E_RNA) where: Base-Base interactions energy: -394.398 where: short stacking energy: -227.008 Base-Backbone interact. energy: -0.863 local terms energy: -266.471289 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -53.731 flat angles C4'-P-C4' energy: -66.671 flat angles P-C4'-P energy: -36.377 tors. eta vs tors. theta energy: -50.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -482.429457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.429457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.429457 (E_RNA) where: Base-Base interactions energy: -271.051 where: short stacking energy: -134.186 Base-Backbone interact. energy: -0.925 local terms energy: -210.452892 where: bonds (distance) C4'-P energy: -49.075 bonds (distance) P-C4' energy: -52.661 flat angles C4'-P-C4' energy: -56.715 flat angles P-C4'-P energy: -34.214 tors. eta vs tors. theta energy: -17.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -402.765586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.765586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.765586 (E_RNA) where: Base-Base interactions energy: -181.043 where: short stacking energy: -123.082 Base-Backbone interact. energy: -0.172 local terms energy: -221.550256 where: bonds (distance) C4'-P energy: -55.456 bonds (distance) P-C4' energy: -77.659 flat angles C4'-P-C4' energy: -54.708 flat angles P-C4'-P energy: -29.000 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: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -342.079299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.079299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.079299 (E_RNA) where: Base-Base interactions energy: -154.908 where: short stacking energy: -107.057 Base-Backbone interact. energy: -0.844 local terms energy: -186.327312 where: bonds (distance) C4'-P energy: -70.196 bonds (distance) P-C4' energy: -52.533 flat angles C4'-P-C4' energy: -38.559 flat angles P-C4'-P energy: -25.348 tors. eta vs tors. theta energy: 0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1174.548670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.548670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.548670 (E_RNA) where: Base-Base interactions energy: -800.159 where: short stacking energy: -360.594 Base-Backbone interact. energy: -1.160 local terms energy: -373.230009 where: bonds (distance) C4'-P energy: -70.693 bonds (distance) P-C4' energy: -74.075 flat angles C4'-P-C4' energy: -78.166 flat angles P-C4'-P energy: -49.011 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: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1128.727374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.727374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.727374 (E_RNA) where: Base-Base interactions energy: -765.531 where: short stacking energy: -346.374 Base-Backbone interact. energy: -0.362 local terms energy: -362.834841 where: bonds (distance) C4'-P energy: -59.847 bonds (distance) P-C4' energy: -74.731 flat angles C4'-P-C4' energy: -65.478 flat angles P-C4'-P energy: -56.059 tors. eta vs tors. theta energy: -106.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1016.475514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.475514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.475514 (E_RNA) where: Base-Base interactions energy: -678.556 where: short stacking energy: -308.927 Base-Backbone interact. energy: -0.588 local terms energy: -337.331348 where: bonds (distance) C4'-P energy: -61.569 bonds (distance) P-C4' energy: -66.746 flat angles C4'-P-C4' energy: -72.299 flat angles P-C4'-P energy: -46.209 tors. eta vs tors. theta energy: -90.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1013.006857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.006857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.006857 (E_RNA) where: Base-Base interactions energy: -667.240 where: short stacking energy: -310.703 Base-Backbone interact. energy: 0.066 local terms energy: -345.832033 where: bonds (distance) C4'-P energy: -70.985 bonds (distance) P-C4' energy: -60.925 flat angles C4'-P-C4' energy: -71.509 flat angles P-C4'-P energy: -51.969 tors. eta vs tors. theta energy: -90.444 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: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -912.994068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.994068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.994068 (E_RNA) where: Base-Base interactions energy: -600.365 where: short stacking energy: -275.899 Base-Backbone interact. energy: -1.075 local terms energy: -311.554154 where: bonds (distance) C4'-P energy: -55.881 bonds (distance) P-C4' energy: -64.143 flat angles C4'-P-C4' energy: -73.229 flat angles P-C4'-P energy: -48.452 tors. eta vs tors. theta energy: -69.849 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: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -850.152561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.152561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.152561 (E_RNA) where: Base-Base interactions energy: -556.680 where: short stacking energy: -265.404 Base-Backbone interact. energy: 0.729 local terms energy: -294.202342 where: bonds (distance) C4'-P energy: -61.481 bonds (distance) P-C4' energy: -53.575 flat angles C4'-P-C4' energy: -61.705 flat angles P-C4'-P energy: -44.122 tors. eta vs tors. theta energy: -73.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -685.066491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.066491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.066491 (E_RNA) where: Base-Base interactions energy: -433.247 where: short stacking energy: -226.088 Base-Backbone interact. energy: -1.285 local terms energy: -250.534648 where: bonds (distance) C4'-P energy: -55.924 bonds (distance) P-C4' energy: -51.003 flat angles C4'-P-C4' energy: -52.303 flat angles P-C4'-P energy: -38.084 tors. eta vs tors. theta energy: -53.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -543.797638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.797638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.797638 (E_RNA) where: Base-Base interactions energy: -297.187 where: short stacking energy: -161.519 Base-Backbone interact. energy: 1.547 local terms energy: -248.158416 where: bonds (distance) C4'-P energy: -68.858 bonds (distance) P-C4' energy: -68.032 flat angles C4'-P-C4' energy: -53.456 flat angles P-C4'-P energy: -39.094 tors. eta vs tors. theta energy: -18.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -424.601194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.601194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.601194 (E_RNA) where: Base-Base interactions energy: -229.609 where: short stacking energy: -139.470 Base-Backbone interact. energy: 1.223 local terms energy: -196.215684 where: bonds (distance) C4'-P energy: -58.005 bonds (distance) P-C4' energy: -47.773 flat angles C4'-P-C4' energy: -50.630 flat angles P-C4'-P energy: -25.645 tors. eta vs tors. theta energy: -14.162 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: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -330.435734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.435734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.435734 (E_RNA) where: Base-Base interactions energy: -134.321 where: short stacking energy: -92.376 Base-Backbone interact. energy: 0.145 local terms energy: -196.258993 where: bonds (distance) C4'-P energy: -63.901 bonds (distance) P-C4' energy: -61.355 flat angles C4'-P-C4' energy: -43.358 flat angles P-C4'-P energy: -27.729 tors. eta vs tors. theta energy: 0.083 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: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1165.447809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.447809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.447809 (E_RNA) where: Base-Base interactions energy: -807.471 where: short stacking energy: -353.751 Base-Backbone interact. energy: -1.103 local terms energy: -356.873642 where: bonds (distance) C4'-P energy: -59.193 bonds (distance) P-C4' energy: -71.330 flat angles C4'-P-C4' energy: -70.791 flat angles P-C4'-P energy: -50.492 tors. eta vs tors. theta energy: -105.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1110.505398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.505398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.505398 (E_RNA) where: Base-Base interactions energy: -748.737 where: short stacking energy: -335.370 Base-Backbone interact. energy: 0.044 local terms energy: -361.813123 where: bonds (distance) C4'-P energy: -66.446 bonds (distance) P-C4' energy: -68.401 flat angles C4'-P-C4' energy: -73.259 flat angles P-C4'-P energy: -54.886 tors. eta vs tors. theta energy: -98.822 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: 4 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1054.959079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.959079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.959079 (E_RNA) where: Base-Base interactions energy: -703.942 where: short stacking energy: -316.652 Base-Backbone interact. energy: -1.998 local terms energy: -349.019028 where: bonds (distance) C4'-P energy: -63.209 bonds (distance) P-C4' energy: -66.187 flat angles C4'-P-C4' energy: -76.532 flat angles P-C4'-P energy: -53.738 tors. eta vs tors. theta energy: -89.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -998.389494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.389494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.389494 (E_RNA) where: Base-Base interactions energy: -644.383 where: short stacking energy: -303.101 Base-Backbone interact. energy: -1.035 local terms energy: -352.971964 where: bonds (distance) C4'-P energy: -73.583 bonds (distance) P-C4' energy: -73.794 flat angles C4'-P-C4' energy: -69.847 flat angles P-C4'-P energy: -47.303 tors. eta vs tors. theta energy: -88.445 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: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -938.985328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.985328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.985328 (E_RNA) where: Base-Base interactions energy: -635.574 where: short stacking energy: -295.627 Base-Backbone interact. energy: 1.087 local terms energy: -304.498013 where: bonds (distance) C4'-P energy: -64.450 bonds (distance) P-C4' energy: -61.566 flat angles C4'-P-C4' energy: -67.931 flat angles P-C4'-P energy: -43.202 tors. eta vs tors. theta energy: -67.350 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: 9 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -871.607454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.607454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.607454 (E_RNA) where: Base-Base interactions energy: -567.693 where: short stacking energy: -274.091 Base-Backbone interact. energy: -0.989 local terms energy: -302.925402 where: bonds (distance) C4'-P energy: -47.669 bonds (distance) P-C4' energy: -62.870 flat angles C4'-P-C4' energy: -59.716 flat angles P-C4'-P energy: -51.345 tors. eta vs tors. theta energy: -81.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -662.978798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.978798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.978798 (E_RNA) where: Base-Base interactions energy: -413.035 where: short stacking energy: -216.792 Base-Backbone interact. energy: -0.394 local terms energy: -249.550041 where: bonds (distance) C4'-P energy: -60.955 bonds (distance) P-C4' energy: -51.054 flat angles C4'-P-C4' energy: -61.881 flat angles P-C4'-P energy: -28.752 tors. eta vs tors. theta energy: -46.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -509.142280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.142280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.142280 (E_RNA) where: Base-Base interactions energy: -296.865 where: short stacking energy: -139.477 Base-Backbone interact. energy: -2.584 local terms energy: -209.692880 where: bonds (distance) C4'-P energy: -55.800 bonds (distance) P-C4' energy: -56.771 flat angles C4'-P-C4' energy: -55.019 flat angles P-C4'-P energy: -27.920 tors. eta vs tors. theta energy: -14.182 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: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -401.979353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.979353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.979353 (E_RNA) where: Base-Base interactions energy: -198.049 where: short stacking energy: -134.069 Base-Backbone interact. energy: 1.919 local terms energy: -205.849364 where: bonds (distance) C4'-P energy: -64.329 bonds (distance) P-C4' energy: -59.055 flat angles C4'-P-C4' energy: -46.075 flat angles P-C4'-P energy: -30.737 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -290.454538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.454538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.454538 (E_RNA) where: Base-Base interactions energy: -99.491 where: short stacking energy: -77.718 Base-Backbone interact. energy: 1.443 local terms energy: -192.406620 where: bonds (distance) C4'-P energy: -54.378 bonds (distance) P-C4' energy: -63.045 flat angles C4'-P-C4' energy: -37.595 flat angles P-C4'-P energy: -38.667 tors. eta vs tors. theta energy: 1.279 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: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1176.990791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.990791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.990791 (E_RNA) where: Base-Base interactions energy: -805.132 where: short stacking energy: -355.414 Base-Backbone interact. energy: -1.877 local terms energy: -369.982326 where: bonds (distance) C4'-P energy: -74.292 bonds (distance) P-C4' energy: -67.370 flat angles C4'-P-C4' energy: -73.256 flat angles P-C4'-P energy: -54.445 tors. eta vs tors. theta energy: -100.619 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: 2, replica: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1143.819718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.819718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.819718 (E_RNA) where: Base-Base interactions energy: -778.560 where: short stacking energy: -370.755 Base-Backbone interact. energy: -0.776 local terms energy: -364.483523 where: bonds (distance) C4'-P energy: -52.068 bonds (distance) P-C4' energy: -71.964 flat angles C4'-P-C4' energy: -72.506 flat angles P-C4'-P energy: -56.932 tors. eta vs tors. theta energy: -111.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1042.013179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.013179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.013179 (E_RNA) where: Base-Base interactions energy: -706.684 where: short stacking energy: -319.343 Base-Backbone interact. energy: -1.305 local terms energy: -334.023772 where: bonds (distance) C4'-P energy: -63.653 bonds (distance) P-C4' energy: -61.953 flat angles C4'-P-C4' energy: -71.502 flat angles P-C4'-P energy: -47.376 tors. eta vs tors. theta energy: -89.539 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: 4, replica: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1010.147367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.147367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.147367 (E_RNA) where: Base-Base interactions energy: -677.144 where: short stacking energy: -297.092 Base-Backbone interact. energy: -0.700 local terms energy: -332.303718 where: bonds (distance) C4'-P energy: -74.166 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -61.271 flat angles P-C4'-P energy: -34.155 tors. eta vs tors. theta energy: -101.657 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: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -925.833444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.833444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.833444 (E_RNA) where: Base-Base interactions energy: -614.231 where: short stacking energy: -268.725 Base-Backbone interact. energy: -0.919 local terms energy: -310.683170 where: bonds (distance) C4'-P energy: -63.423 bonds (distance) P-C4' energy: -55.874 flat angles C4'-P-C4' energy: -70.593 flat angles P-C4'-P energy: -46.106 tors. eta vs tors. theta energy: -74.688 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: 9 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -878.297974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.297974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.297974 (E_RNA) where: Base-Base interactions energy: -562.909 where: short stacking energy: -271.803 Base-Backbone interact. energy: -0.913 local terms energy: -314.475686 where: bonds (distance) C4'-P energy: -65.297 bonds (distance) P-C4' energy: -68.047 flat angles C4'-P-C4' energy: -73.348 flat angles P-C4'-P energy: -34.729 tors. eta vs tors. theta energy: -73.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -668.761844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.761844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.761844 (E_RNA) where: Base-Base interactions energy: -394.161 where: short stacking energy: -185.252 Base-Backbone interact. energy: -0.845 local terms energy: -273.755139 where: bonds (distance) C4'-P energy: -69.250 bonds (distance) P-C4' energy: -64.861 flat angles C4'-P-C4' energy: -53.943 flat angles P-C4'-P energy: -48.524 tors. eta vs tors. theta energy: -37.177 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: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -438.373565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.373565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.373565 (E_RNA) where: Base-Base interactions energy: -222.126 where: short stacking energy: -142.482 Base-Backbone interact. energy: -1.428 local terms energy: -214.818930 where: bonds (distance) C4'-P energy: -53.758 bonds (distance) P-C4' energy: -61.971 flat angles C4'-P-C4' energy: -49.671 flat angles P-C4'-P energy: -34.477 tors. eta vs tors. theta energy: -14.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -450.396880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.396880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.396880 (E_RNA) where: Base-Base interactions energy: -257.100 where: short stacking energy: -123.944 Base-Backbone interact. energy: -1.488 local terms energy: -191.809142 where: bonds (distance) C4'-P energy: -57.051 bonds (distance) P-C4' energy: -62.348 flat angles C4'-P-C4' energy: -59.072 flat angles P-C4'-P energy: -22.861 tors. eta vs tors. theta energy: 9.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -287.659160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.659160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.659160 (E_RNA) where: Base-Base interactions energy: -105.956 where: short stacking energy: -82.965 Base-Backbone interact. energy: 1.155 local terms energy: -182.857357 where: bonds (distance) C4'-P energy: -50.534 bonds (distance) P-C4' energy: -59.445 flat angles C4'-P-C4' energy: -52.577 flat angles P-C4'-P energy: -25.303 tors. eta vs tors. theta energy: 5.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1193.560145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.560145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.560145 (E_RNA) where: Base-Base interactions energy: -799.494 where: short stacking energy: -343.271 Base-Backbone interact. energy: -1.924 local terms energy: -392.142150 where: bonds (distance) C4'-P energy: -72.413 bonds (distance) P-C4' energy: -74.184 flat angles C4'-P-C4' energy: -85.906 flat angles P-C4'-P energy: -57.994 tors. eta vs tors. theta energy: -101.645 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: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1146.080587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.080587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.080587 (E_RNA) where: Base-Base interactions energy: -775.079 where: short stacking energy: -365.347 Base-Backbone interact. energy: -0.256 local terms energy: -370.746028 where: bonds (distance) C4'-P energy: -71.440 bonds (distance) P-C4' energy: -69.456 flat angles C4'-P-C4' energy: -73.213 flat angles P-C4'-P energy: -52.820 tors. eta vs tors. theta energy: -103.818 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: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1051.661433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.661433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.661433 (E_RNA) where: Base-Base interactions energy: -704.267 where: short stacking energy: -332.323 Base-Backbone interact. energy: -0.296 local terms energy: -347.098969 where: bonds (distance) C4'-P energy: -65.565 bonds (distance) P-C4' energy: -69.911 flat angles C4'-P-C4' energy: -70.356 flat angles P-C4'-P energy: -49.681 tors. eta vs tors. theta energy: -91.586 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: 348 Temperature: 1.050000 Total energy: -1016.250479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.250479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.250479 (E_RNA) where: Base-Base interactions energy: -697.722 where: short stacking energy: -326.620 Base-Backbone interact. energy: -0.818 local terms energy: -317.710839 where: bonds (distance) C4'-P energy: -58.603 bonds (distance) P-C4' energy: -63.415 flat angles C4'-P-C4' energy: -65.169 flat angles P-C4'-P energy: -41.948 tors. eta vs tors. theta energy: -88.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -967.301563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.301563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.301563 (E_RNA) where: Base-Base interactions energy: -651.737 where: short stacking energy: -284.044 Base-Backbone interact. energy: 1.013 local terms energy: -316.577758 where: bonds (distance) C4'-P energy: -65.577 bonds (distance) P-C4' energy: -63.912 flat angles C4'-P-C4' energy: -72.685 flat angles P-C4'-P energy: -36.432 tors. eta vs tors. theta energy: -77.971 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: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -836.425519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.425519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.425519 (E_RNA) where: Base-Base interactions energy: -539.529 where: short stacking energy: -256.863 Base-Backbone interact. energy: -2.596 local terms energy: -294.300442 where: bonds (distance) C4'-P energy: -61.593 bonds (distance) P-C4' energy: -52.581 flat angles C4'-P-C4' energy: -73.185 flat angles P-C4'-P energy: -42.417 tors. eta vs tors. theta energy: -64.525 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: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -702.573874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.573874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.573874 (E_RNA) where: Base-Base interactions energy: -439.945 where: short stacking energy: -211.231 Base-Backbone interact. energy: 2.598 local terms energy: -265.227009 where: bonds (distance) C4'-P energy: -42.790 bonds (distance) P-C4' energy: -69.506 flat angles C4'-P-C4' energy: -58.549 flat angles P-C4'-P energy: -50.601 tors. eta vs tors. theta energy: -43.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -452.636915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.636915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.636915 (E_RNA) where: Base-Base interactions energy: -213.156 where: short stacking energy: -127.780 Base-Backbone interact. energy: 1.068 local terms energy: -240.548717 where: bonds (distance) C4'-P energy: -66.659 bonds (distance) P-C4' energy: -71.188 flat angles C4'-P-C4' energy: -59.192 flat angles P-C4'-P energy: -30.215 tors. eta vs tors. theta energy: -13.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -444.704581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.704581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.704581 (E_RNA) where: Base-Base interactions energy: -225.505 where: short stacking energy: -144.078 Base-Backbone interact. energy: -0.017 local terms energy: -219.182884 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -58.315 flat angles C4'-P-C4' energy: -43.900 flat angles P-C4'-P energy: -40.895 tors. eta vs tors. theta energy: -20.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -271.918167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.918167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.918167 (E_RNA) where: Base-Base interactions energy: -84.782 where: short stacking energy: -75.628 Base-Backbone interact. energy: -2.387 local terms energy: -184.749042 where: bonds (distance) C4'-P energy: -56.832 bonds (distance) P-C4' energy: -59.747 flat angles C4'-P-C4' energy: -44.535 flat angles P-C4'-P energy: -25.559 tors. eta vs tors. theta energy: 1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1173.984137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.984137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.984137 (E_RNA) where: Base-Base interactions energy: -817.573 where: short stacking energy: -358.362 Base-Backbone interact. energy: -1.172 local terms energy: -355.238844 where: bonds (distance) C4'-P energy: -65.271 bonds (distance) P-C4' energy: -62.150 flat angles C4'-P-C4' energy: -79.070 flat angles P-C4'-P energy: -47.014 tors. eta vs tors. theta energy: -101.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1135.630632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.630632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.630632 (E_RNA) where: Base-Base interactions energy: -773.042 where: short stacking energy: -372.199 Base-Backbone interact. energy: -0.301 local terms energy: -362.287529 where: bonds (distance) C4'-P energy: -63.127 bonds (distance) P-C4' energy: -67.327 flat angles C4'-P-C4' energy: -80.105 flat angles P-C4'-P energy: -46.620 tors. eta vs tors. theta energy: -105.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1055.976973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.976973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.976973 (E_RNA) where: Base-Base interactions energy: -704.524 where: short stacking energy: -323.730 Base-Backbone interact. energy: -1.061 local terms energy: -350.392001 where: bonds (distance) C4'-P energy: -53.687 bonds (distance) P-C4' energy: -74.546 flat angles C4'-P-C4' energy: -71.117 flat angles P-C4'-P energy: -49.973 tors. eta vs tors. theta energy: -101.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -982.949048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.949048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.949048 (E_RNA) where: Base-Base interactions energy: -663.209 where: short stacking energy: -299.477 Base-Backbone interact. energy: -1.407 local terms energy: -318.332906 where: bonds (distance) C4'-P energy: -64.439 bonds (distance) P-C4' energy: -63.158 flat angles C4'-P-C4' energy: -67.646 flat angles P-C4'-P energy: -46.832 tors. eta vs tors. theta energy: -76.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -991.622782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.622782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.622782 (E_RNA) where: Base-Base interactions energy: -663.567 where: short stacking energy: -293.923 Base-Backbone interact. energy: 3.188 local terms energy: -331.243509 where: bonds (distance) C4'-P energy: -60.547 bonds (distance) P-C4' energy: -60.963 flat angles C4'-P-C4' energy: -75.183 flat angles P-C4'-P energy: -49.720 tors. eta vs tors. theta energy: -84.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -840.597194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.597194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.597194 (E_RNA) where: Base-Base interactions energy: -544.625 where: short stacking energy: -254.298 Base-Backbone interact. energy: 2.273 local terms energy: -298.245535 where: bonds (distance) C4'-P energy: -66.063 bonds (distance) P-C4' energy: -65.584 flat angles C4'-P-C4' energy: -70.524 flat angles P-C4'-P energy: -38.293 tors. eta vs tors. theta energy: -57.781 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: 7, replica: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -702.891594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.891594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.891594 (E_RNA) where: Base-Base interactions energy: -427.425 where: short stacking energy: -215.897 Base-Backbone interact. energy: 0.101 local terms energy: -275.567481 where: bonds (distance) C4'-P energy: -58.982 bonds (distance) P-C4' energy: -54.212 flat angles C4'-P-C4' energy: -67.820 flat angles P-C4'-P energy: -38.246 tors. eta vs tors. theta energy: -56.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -466.993531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.993531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.993531 (E_RNA) where: Base-Base interactions energy: -233.743 where: short stacking energy: -132.802 Base-Backbone interact. energy: -1.075 local terms energy: -232.176273 where: bonds (distance) C4'-P energy: -69.380 bonds (distance) P-C4' energy: -69.277 flat angles C4'-P-C4' energy: -50.895 flat angles P-C4'-P energy: -30.916 tors. eta vs tors. theta energy: -11.708 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: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -450.538730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.538730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.538730 (E_RNA) where: Base-Base interactions energy: -234.296 where: short stacking energy: -145.417 Base-Backbone interact. energy: 0.612 local terms energy: -216.854411 where: bonds (distance) C4'-P energy: -52.764 bonds (distance) P-C4' energy: -69.249 flat angles C4'-P-C4' energy: -46.251 flat angles P-C4'-P energy: -31.729 tors. eta vs tors. theta energy: -16.861 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: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -301.026139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.026139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.026139 (E_RNA) where: Base-Base interactions energy: -104.936 where: short stacking energy: -90.586 Base-Backbone interact. energy: -1.089 local terms energy: -195.001559 where: bonds (distance) C4'-P energy: -47.905 bonds (distance) P-C4' energy: -64.455 flat angles C4'-P-C4' energy: -45.791 flat angles P-C4'-P energy: -33.740 tors. eta vs tors. theta energy: -3.112 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: 350 Temperature: 0.900000 Total energy: -1156.085713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.085713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.085713 (E_RNA) where: Base-Base interactions energy: -800.506 where: short stacking energy: -340.648 Base-Backbone interact. energy: 0.548 local terms energy: -356.127625 where: bonds (distance) C4'-P energy: -69.351 bonds (distance) P-C4' energy: -69.261 flat angles C4'-P-C4' energy: -73.635 flat angles P-C4'-P energy: -44.658 tors. eta vs tors. theta energy: -99.223 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: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1137.385715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.385715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.385715 (E_RNA) where: Base-Base interactions energy: -760.216 where: short stacking energy: -354.609 Base-Backbone interact. energy: -0.991 local terms energy: -376.178786 where: bonds (distance) C4'-P energy: -69.555 bonds (distance) P-C4' energy: -63.451 flat angles C4'-P-C4' energy: -81.104 flat angles P-C4'-P energy: -54.853 tors. eta vs tors. theta energy: -107.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1066.758835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.758835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.758835 (E_RNA) where: Base-Base interactions energy: -704.523 where: short stacking energy: -346.171 Base-Backbone interact. energy: -1.531 local terms energy: -360.704868 where: bonds (distance) C4'-P energy: -69.096 bonds (distance) P-C4' energy: -58.642 flat angles C4'-P-C4' energy: -81.698 flat angles P-C4'-P energy: -45.849 tors. eta vs tors. theta energy: -105.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -982.114764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.114764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.114764 (E_RNA) where: Base-Base interactions energy: -647.604 where: short stacking energy: -292.816 Base-Backbone interact. energy: -1.637 local terms energy: -332.873887 where: bonds (distance) C4'-P energy: -60.783 bonds (distance) P-C4' energy: -65.511 flat angles C4'-P-C4' energy: -83.868 flat angles P-C4'-P energy: -44.311 tors. eta vs tors. theta energy: -78.401 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: 5, replica: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -961.553508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.553508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.553508 (E_RNA) where: Base-Base interactions energy: -644.342 where: short stacking energy: -295.704 Base-Backbone interact. energy: 0.920 local terms energy: -318.132002 where: bonds (distance) C4'-P energy: -68.297 bonds (distance) P-C4' energy: -65.629 flat angles C4'-P-C4' energy: -55.705 flat angles P-C4'-P energy: -47.121 tors. eta vs tors. theta energy: -81.380 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: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -833.896110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.896110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.896110 (E_RNA) where: Base-Base interactions energy: -532.647 where: short stacking energy: -249.202 Base-Backbone interact. energy: -1.161 local terms energy: -300.088470 where: bonds (distance) C4'-P energy: -62.361 bonds (distance) P-C4' energy: -62.637 flat angles C4'-P-C4' energy: -65.045 flat angles P-C4'-P energy: -42.255 tors. eta vs tors. theta energy: -67.791 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: 350 Temperature: 1.200000 Total energy: -738.223458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.223458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.223458 (E_RNA) where: Base-Base interactions energy: -449.024 where: short stacking energy: -215.731 Base-Backbone interact. energy: -0.166 local terms energy: -289.033346 where: bonds (distance) C4'-P energy: -69.734 bonds (distance) P-C4' energy: -57.985 flat angles C4'-P-C4' energy: -68.913 flat angles P-C4'-P energy: -40.606 tors. eta vs tors. theta energy: -51.795 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: 10 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -473.496888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.496888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.496888 (E_RNA) where: Base-Base interactions energy: -250.455 where: short stacking energy: -160.283 Base-Backbone interact. energy: -1.775 local terms energy: -221.267527 where: bonds (distance) C4'-P energy: -49.949 bonds (distance) P-C4' energy: -60.025 flat angles C4'-P-C4' energy: -63.611 flat angles P-C4'-P energy: -25.410 tors. eta vs tors. theta energy: -22.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -440.313984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.313984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.313984 (E_RNA) where: Base-Base interactions energy: -204.966 where: short stacking energy: -108.757 Base-Backbone interact. energy: 2.823 local terms energy: -238.171353 where: bonds (distance) C4'-P energy: -63.053 bonds (distance) P-C4' energy: -60.440 flat angles C4'-P-C4' energy: -62.281 flat angles P-C4'-P energy: -51.105 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -289.419748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.419748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.419748 (E_RNA) where: Base-Base interactions energy: -103.368 where: short stacking energy: -97.562 Base-Backbone interact. energy: 1.362 local terms energy: -187.413617 where: bonds (distance) C4'-P energy: -61.373 bonds (distance) P-C4' energy: -56.139 flat angles C4'-P-C4' energy: -55.390 flat angles P-C4'-P energy: -24.655 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: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1161.978205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.978205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.978205 (E_RNA) where: Base-Base interactions energy: -790.659 where: short stacking energy: -341.964 Base-Backbone interact. energy: -2.320 local terms energy: -368.999272 where: bonds (distance) C4'-P energy: -68.784 bonds (distance) P-C4' energy: -79.348 flat angles C4'-P-C4' energy: -79.452 flat angles P-C4'-P energy: -39.495 tors. eta vs tors. theta energy: -101.921 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: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1149.463855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.463855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.463855 (E_RNA) where: Base-Base interactions energy: -780.074 where: short stacking energy: -376.678 Base-Backbone interact. energy: -0.722 local terms energy: -368.668307 where: bonds (distance) C4'-P energy: -69.818 bonds (distance) P-C4' energy: -68.308 flat angles C4'-P-C4' energy: -77.164 flat angles P-C4'-P energy: -43.891 tors. eta vs tors. theta energy: -109.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1063.047458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.047458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.047458 (E_RNA) where: Base-Base interactions energy: -693.992 where: short stacking energy: -327.590 Base-Backbone interact. energy: -1.494 local terms energy: -367.562049 where: bonds (distance) C4'-P energy: -65.096 bonds (distance) P-C4' energy: -65.923 flat angles C4'-P-C4' energy: -81.044 flat angles P-C4'-P energy: -48.564 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: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -973.442428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.442428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.442428 (E_RNA) where: Base-Base interactions energy: -659.403 where: short stacking energy: -297.541 Base-Backbone interact. energy: 0.195 local terms energy: -314.233979 where: bonds (distance) C4'-P energy: -53.963 bonds (distance) P-C4' energy: -54.954 flat angles C4'-P-C4' energy: -70.181 flat angles P-C4'-P energy: -56.510 tors. eta vs tors. theta energy: -78.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -990.987882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.987882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.987882 (E_RNA) where: Base-Base interactions energy: -671.459 where: short stacking energy: -283.855 Base-Backbone interact. energy: -2.952 local terms energy: -316.577347 where: bonds (distance) C4'-P energy: -62.776 bonds (distance) P-C4' energy: -60.281 flat angles C4'-P-C4' energy: -62.896 flat angles P-C4'-P energy: -41.952 tors. eta vs tors. theta energy: -88.672 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: 6, replica: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -838.077815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.077815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.077815 (E_RNA) where: Base-Base interactions energy: -540.602 where: short stacking energy: -266.282 Base-Backbone interact. energy: -1.457 local terms energy: -296.018148 where: bonds (distance) C4'-P energy: -52.213 bonds (distance) P-C4' energy: -69.493 flat angles C4'-P-C4' energy: -71.699 flat angles P-C4'-P energy: -42.205 tors. eta vs tors. theta energy: -60.408 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: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -750.420208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.420208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.420208 (E_RNA) where: Base-Base interactions energy: -445.889 where: short stacking energy: -206.205 Base-Backbone interact. energy: -0.349 local terms energy: -304.182537 where: bonds (distance) C4'-P energy: -59.111 bonds (distance) P-C4' energy: -70.345 flat angles C4'-P-C4' energy: -70.822 flat angles P-C4'-P energy: -50.943 tors. eta vs tors. theta energy: -52.962 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: 2 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -456.609391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.609391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.609391 (E_RNA) where: Base-Base interactions energy: -244.466 where: short stacking energy: -127.909 Base-Backbone interact. energy: 2.401 local terms energy: -214.544164 where: bonds (distance) C4'-P energy: -54.162 bonds (distance) P-C4' energy: -61.885 flat angles C4'-P-C4' energy: -60.868 flat angles P-C4'-P energy: -25.885 tors. eta vs tors. theta energy: -11.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -418.686031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.686031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.686031 (E_RNA) where: Base-Base interactions energy: -209.975 where: short stacking energy: -118.038 Base-Backbone interact. energy: -1.603 local terms energy: -207.108715 where: bonds (distance) C4'-P energy: -63.153 bonds (distance) P-C4' energy: -47.277 flat angles C4'-P-C4' energy: -56.117 flat angles P-C4'-P energy: -24.254 tors. eta vs tors. theta energy: -16.308 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: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -275.390342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.390342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.390342 (E_RNA) where: Base-Base interactions energy: -92.891 where: short stacking energy: -68.614 Base-Backbone interact. energy: 3.074 local terms energy: -185.574113 where: bonds (distance) C4'-P energy: -60.504 bonds (distance) P-C4' energy: -55.525 flat angles C4'-P-C4' energy: -58.151 flat angles P-C4'-P energy: -28.071 tors. eta vs tors. theta energy: 16.677 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: 1 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1186.097720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.097720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.097720 (E_RNA) where: Base-Base interactions energy: -799.200 where: short stacking energy: -381.192 Base-Backbone interact. energy: -1.106 local terms energy: -385.792176 where: bonds (distance) C4'-P energy: -70.572 bonds (distance) P-C4' energy: -70.538 flat angles C4'-P-C4' energy: -81.889 flat angles P-C4'-P energy: -52.766 tors. eta vs tors. theta energy: -110.028 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: 2, replica: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1146.983239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.983239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.983239 (E_RNA) where: Base-Base interactions energy: -778.751 where: short stacking energy: -331.760 Base-Backbone interact. energy: -2.428 local terms energy: -365.804393 where: bonds (distance) C4'-P energy: -60.639 bonds (distance) P-C4' energy: -77.907 flat angles C4'-P-C4' energy: -82.771 flat angles P-C4'-P energy: -41.352 tors. eta vs tors. theta energy: -103.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1069.172549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.172549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.172549 (E_RNA) where: Base-Base interactions energy: -704.010 where: short stacking energy: -331.983 Base-Backbone interact. energy: -0.877 local terms energy: -364.286271 where: bonds (distance) C4'-P energy: -60.275 bonds (distance) P-C4' energy: -71.663 flat angles C4'-P-C4' energy: -72.874 flat angles P-C4'-P energy: -47.688 tors. eta vs tors. theta energy: -111.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -978.602984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.602984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.602984 (E_RNA) where: Base-Base interactions energy: -643.599 where: short stacking energy: -290.839 Base-Backbone interact. energy: -1.400 local terms energy: -333.603794 where: bonds (distance) C4'-P energy: -70.202 bonds (distance) P-C4' energy: -68.353 flat angles C4'-P-C4' energy: -76.614 flat angles P-C4'-P energy: -45.845 tors. eta vs tors. theta energy: -72.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -988.604701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.604701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.604701 (E_RNA) where: Base-Base interactions energy: -660.415 where: short stacking energy: -295.814 Base-Backbone interact. energy: 0.628 local terms energy: -328.818358 where: bonds (distance) C4'-P energy: -57.270 bonds (distance) P-C4' energy: -73.256 flat angles C4'-P-C4' energy: -65.017 flat angles P-C4'-P energy: -49.281 tors. eta vs tors. theta energy: -83.994 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: 9 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -828.067280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.067280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.067280 (E_RNA) where: Base-Base interactions energy: -523.976 where: short stacking energy: -253.026 Base-Backbone interact. energy: -0.707 local terms energy: -303.384416 where: bonds (distance) C4'-P energy: -52.956 bonds (distance) P-C4' energy: -67.039 flat angles C4'-P-C4' energy: -74.075 flat angles P-C4'-P energy: -44.174 tors. eta vs tors. theta energy: -65.142 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: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -743.765702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.765702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.765702 (E_RNA) where: Base-Base interactions energy: -459.347 where: short stacking energy: -225.132 Base-Backbone interact. energy: -1.010 local terms energy: -283.407899 where: bonds (distance) C4'-P energy: -54.608 bonds (distance) P-C4' energy: -59.466 flat angles C4'-P-C4' energy: -66.222 flat angles P-C4'-P energy: -50.189 tors. eta vs tors. theta energy: -52.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -495.038732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.038732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.038732 (E_RNA) where: Base-Base interactions energy: -279.765 where: short stacking energy: -142.516 Base-Backbone interact. energy: -1.083 local terms energy: -214.190108 where: bonds (distance) C4'-P energy: -51.778 bonds (distance) P-C4' energy: -70.336 flat angles C4'-P-C4' energy: -45.797 flat angles P-C4'-P energy: -36.535 tors. eta vs tors. theta energy: -9.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -406.348299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.348299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.348299 (E_RNA) where: Base-Base interactions energy: -216.232 where: short stacking energy: -117.662 Base-Backbone interact. energy: 0.153 local terms energy: -190.269084 where: bonds (distance) C4'-P energy: -57.495 bonds (distance) P-C4' energy: -45.664 flat angles C4'-P-C4' energy: -57.048 flat angles P-C4'-P energy: -27.513 tors. eta vs tors. theta energy: -2.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -307.402419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.402419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.402419 (E_RNA) where: Base-Base interactions energy: -106.425 where: short stacking energy: -101.423 Base-Backbone interact. energy: 0.462 local terms energy: -201.440103 where: bonds (distance) C4'-P energy: -56.398 bonds (distance) P-C4' energy: -61.417 flat angles C4'-P-C4' energy: -52.411 flat angles P-C4'-P energy: -35.171 tors. eta vs tors. theta energy: 3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1167.130610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.130610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.130610 (E_RNA) where: Base-Base interactions energy: -768.800 where: short stacking energy: -376.561 Base-Backbone interact. energy: -0.641 local terms energy: -397.689292 where: bonds (distance) C4'-P energy: -71.875 bonds (distance) P-C4' energy: -74.346 flat angles C4'-P-C4' energy: -80.665 flat angles P-C4'-P energy: -57.564 tors. eta vs tors. theta energy: -113.239 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: 8 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1157.037842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.037842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.037842 (E_RNA) where: Base-Base interactions energy: -805.839 where: short stacking energy: -359.878 Base-Backbone interact. energy: -1.909 local terms energy: -349.290198 where: bonds (distance) C4'-P energy: -65.125 bonds (distance) P-C4' energy: -67.259 flat angles C4'-P-C4' energy: -69.674 flat angles P-C4'-P energy: -50.565 tors. eta vs tors. theta energy: -96.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1036.130239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.130239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.130239 (E_RNA) where: Base-Base interactions energy: -717.538 where: short stacking energy: -338.271 Base-Backbone interact. energy: -0.146 local terms energy: -318.446285 where: bonds (distance) C4'-P energy: -58.018 bonds (distance) P-C4' energy: -59.273 flat angles C4'-P-C4' energy: -62.529 flat angles P-C4'-P energy: -46.821 tors. eta vs tors. theta energy: -91.805 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: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1007.445160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.445160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.445160 (E_RNA) where: Base-Base interactions energy: -674.801 where: short stacking energy: -314.290 Base-Backbone interact. energy: -1.023 local terms energy: -331.620838 where: bonds (distance) C4'-P energy: -63.208 bonds (distance) P-C4' energy: -67.857 flat angles C4'-P-C4' energy: -63.887 flat angles P-C4'-P energy: -42.165 tors. eta vs tors. theta energy: -94.504 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: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -905.386027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.386027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.386027 (E_RNA) where: Base-Base interactions energy: -620.366 where: short stacking energy: -268.294 Base-Backbone interact. energy: 0.378 local terms energy: -285.397703 where: bonds (distance) C4'-P energy: -54.633 bonds (distance) P-C4' energy: -58.806 flat angles C4'-P-C4' energy: -66.651 flat angles P-C4'-P energy: -35.406 tors. eta vs tors. theta energy: -69.901 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: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -853.396211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.396211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.396211 (E_RNA) where: Base-Base interactions energy: -566.618 where: short stacking energy: -296.786 Base-Backbone interact. energy: -0.612 local terms energy: -286.165644 where: bonds (distance) C4'-P energy: -66.804 bonds (distance) P-C4' energy: -64.289 flat angles C4'-P-C4' energy: -59.469 flat angles P-C4'-P energy: -32.472 tors. eta vs tors. theta energy: -63.132 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: 353 Temperature: 1.200000 Total energy: -732.392804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.392804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.392804 (E_RNA) where: Base-Base interactions energy: -457.014 where: short stacking energy: -229.391 Base-Backbone interact. energy: 0.347 local terms energy: -275.725503 where: bonds (distance) C4'-P energy: -56.049 bonds (distance) P-C4' energy: -56.894 flat angles C4'-P-C4' energy: -68.400 flat angles P-C4'-P energy: -43.686 tors. eta vs tors. theta energy: -50.696 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: 2 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -508.134030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.134030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.134030 (E_RNA) where: Base-Base interactions energy: -266.705 where: short stacking energy: -145.408 Base-Backbone interact. energy: -1.427 local terms energy: -240.001775 where: bonds (distance) C4'-P energy: -62.200 bonds (distance) P-C4' energy: -67.479 flat angles C4'-P-C4' energy: -62.481 flat angles P-C4'-P energy: -33.585 tors. eta vs tors. theta energy: -14.257 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: 9, replica: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -361.616094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.616094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.616094 (E_RNA) where: Base-Base interactions energy: -151.680 where: short stacking energy: -90.905 Base-Backbone interact. energy: -2.690 local terms energy: -207.245826 where: bonds (distance) C4'-P energy: -68.904 bonds (distance) P-C4' energy: -63.491 flat angles C4'-P-C4' energy: -32.492 flat angles P-C4'-P energy: -36.406 tors. eta vs tors. theta energy: -5.953 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: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -304.689987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.689987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.689987 (E_RNA) where: Base-Base interactions energy: -105.940 where: short stacking energy: -91.036 Base-Backbone interact. energy: -0.570 local terms energy: -198.179582 where: bonds (distance) C4'-P energy: -54.209 bonds (distance) P-C4' energy: -66.715 flat angles C4'-P-C4' energy: -61.920 flat angles P-C4'-P energy: -18.499 tors. eta vs tors. theta energy: 3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1162.715500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.715500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.715500 (E_RNA) where: Base-Base interactions energy: -788.294 where: short stacking energy: -355.382 Base-Backbone interact. energy: -3.128 local terms energy: -371.292981 where: bonds (distance) C4'-P energy: -70.338 bonds (distance) P-C4' energy: -70.468 flat angles C4'-P-C4' energy: -79.166 flat angles P-C4'-P energy: -51.705 tors. eta vs tors. theta energy: -99.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1163.459156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.459156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.459156 (E_RNA) where: Base-Base interactions energy: -782.798 where: short stacking energy: -374.273 Base-Backbone interact. energy: 0.259 local terms energy: -380.920337 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -68.285 flat angles C4'-P-C4' energy: -78.729 flat angles P-C4'-P energy: -59.230 tors. eta vs tors. theta energy: -114.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1048.071004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.071004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.071004 (E_RNA) where: Base-Base interactions energy: -701.325 where: short stacking energy: -318.421 Base-Backbone interact. energy: -1.051 local terms energy: -345.694914 where: bonds (distance) C4'-P energy: -55.169 bonds (distance) P-C4' energy: -69.172 flat angles C4'-P-C4' energy: -76.897 flat angles P-C4'-P energy: -51.064 tors. eta vs tors. theta energy: -93.393 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: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1026.871283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.871283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.871283 (E_RNA) where: Base-Base interactions energy: -689.732 where: short stacking energy: -303.926 Base-Backbone interact. energy: -0.162 local terms energy: -336.976870 where: bonds (distance) C4'-P energy: -61.683 bonds (distance) P-C4' energy: -66.205 flat angles C4'-P-C4' energy: -66.780 flat angles P-C4'-P energy: -54.289 tors. eta vs tors. theta energy: -88.021 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: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -940.202490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.202490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.202490 (E_RNA) where: Base-Base interactions energy: -606.722 where: short stacking energy: -274.269 Base-Backbone interact. energy: 0.204 local terms energy: -333.683941 where: bonds (distance) C4'-P energy: -72.017 bonds (distance) P-C4' energy: -68.802 flat angles C4'-P-C4' energy: -73.057 flat angles P-C4'-P energy: -46.285 tors. eta vs tors. theta energy: -73.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -808.769526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.769526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.769526 (E_RNA) where: Base-Base interactions energy: -515.150 where: short stacking energy: -255.157 Base-Backbone interact. energy: 1.691 local terms energy: -295.310409 where: bonds (distance) C4'-P energy: -56.761 bonds (distance) P-C4' energy: -72.650 flat angles C4'-P-C4' energy: -71.779 flat angles P-C4'-P energy: -40.763 tors. eta vs tors. theta energy: -53.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -733.862294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.862294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.862294 (E_RNA) where: Base-Base interactions energy: -443.868 where: short stacking energy: -233.363 Base-Backbone interact. energy: -0.448 local terms energy: -289.546109 where: bonds (distance) C4'-P energy: -62.501 bonds (distance) P-C4' energy: -77.941 flat angles C4'-P-C4' energy: -66.798 flat angles P-C4'-P energy: -26.921 tors. eta vs tors. theta energy: -55.385 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: 2 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -492.099678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.099678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.099678 (E_RNA) where: Base-Base interactions energy: -282.760 where: short stacking energy: -139.825 Base-Backbone interact. energy: 0.833 local terms energy: -210.172861 where: bonds (distance) C4'-P energy: -52.920 bonds (distance) P-C4' energy: -59.548 flat angles C4'-P-C4' energy: -46.591 flat angles P-C4'-P energy: -28.708 tors. eta vs tors. theta energy: -22.405 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: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -394.806333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.806333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.806333 (E_RNA) where: Base-Base interactions energy: -184.723 where: short stacking energy: -116.287 Base-Backbone interact. energy: 0.029 local terms energy: -210.113075 where: bonds (distance) C4'-P energy: -58.559 bonds (distance) P-C4' energy: -63.981 flat angles C4'-P-C4' energy: -46.128 flat angles P-C4'-P energy: -42.181 tors. eta vs tors. theta energy: 0.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -273.321242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.321242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.321242 (E_RNA) where: Base-Base interactions energy: -89.928 where: short stacking energy: -82.000 Base-Backbone interact. energy: -0.435 local terms energy: -182.958618 where: bonds (distance) C4'-P energy: -66.966 bonds (distance) P-C4' energy: -64.151 flat angles C4'-P-C4' energy: -47.200 flat angles P-C4'-P energy: -17.671 tors. eta vs tors. theta energy: 13.029 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: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1156.268060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.268060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.268060 (E_RNA) where: Base-Base interactions energy: -785.096 where: short stacking energy: -358.970 Base-Backbone interact. energy: -2.018 local terms energy: -369.153570 where: bonds (distance) C4'-P energy: -67.462 bonds (distance) P-C4' energy: -71.350 flat angles C4'-P-C4' energy: -76.097 flat angles P-C4'-P energy: -51.208 tors. eta vs tors. theta energy: -103.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1130.607899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.607899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.607899 (E_RNA) where: Base-Base interactions energy: -773.485 where: short stacking energy: -368.699 Base-Backbone interact. energy: -0.793 local terms energy: -356.330130 where: bonds (distance) C4'-P energy: -50.389 bonds (distance) P-C4' energy: -73.185 flat angles C4'-P-C4' energy: -81.630 flat angles P-C4'-P energy: -47.045 tors. eta vs tors. theta energy: -104.081 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: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1069.556413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.556413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.556413 (E_RNA) where: Base-Base interactions energy: -716.172 where: short stacking energy: -346.218 Base-Backbone interact. energy: -0.765 local terms energy: -352.619244 where: bonds (distance) C4'-P energy: -73.578 bonds (distance) P-C4' energy: -50.096 flat angles C4'-P-C4' energy: -76.373 flat angles P-C4'-P energy: -52.314 tors. eta vs tors. theta energy: -100.259 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: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1018.725822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.725822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.725822 (E_RNA) where: Base-Base interactions energy: -681.129 where: short stacking energy: -323.825 Base-Backbone interact. energy: -1.745 local terms energy: -335.851471 where: bonds (distance) C4'-P energy: -63.882 bonds (distance) P-C4' energy: -64.255 flat angles C4'-P-C4' energy: -70.533 flat angles P-C4'-P energy: -45.024 tors. eta vs tors. theta energy: -92.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -916.126848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.126848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.126848 (E_RNA) where: Base-Base interactions energy: -604.905 where: short stacking energy: -274.221 Base-Backbone interact. energy: 3.244 local terms energy: -314.465687 where: bonds (distance) C4'-P energy: -58.771 bonds (distance) P-C4' energy: -67.536 flat angles C4'-P-C4' energy: -75.388 flat angles P-C4'-P energy: -46.667 tors. eta vs tors. theta energy: -66.104 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: 6, replica: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -834.285395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.285395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.285395 (E_RNA) where: Base-Base interactions energy: -528.015 where: short stacking energy: -258.614 Base-Backbone interact. energy: -0.281 local terms energy: -305.989313 where: bonds (distance) C4'-P energy: -61.983 bonds (distance) P-C4' energy: -60.503 flat angles C4'-P-C4' energy: -63.089 flat angles P-C4'-P energy: -54.301 tors. eta vs tors. theta energy: -66.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -709.764453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.764453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.764453 (E_RNA) where: Base-Base interactions energy: -428.004 where: short stacking energy: -209.040 Base-Backbone interact. energy: -0.906 local terms energy: -280.854888 where: bonds (distance) C4'-P energy: -69.579 bonds (distance) P-C4' energy: -62.180 flat angles C4'-P-C4' energy: -68.326 flat angles P-C4'-P energy: -42.076 tors. eta vs tors. theta energy: -38.693 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: 2 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -471.401685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.401685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.401685 (E_RNA) where: Base-Base interactions energy: -261.975 where: short stacking energy: -127.925 Base-Backbone interact. energy: -1.318 local terms energy: -208.109084 where: bonds (distance) C4'-P energy: -57.695 bonds (distance) P-C4' energy: -59.168 flat angles C4'-P-C4' energy: -56.654 flat angles P-C4'-P energy: -28.822 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -357.602795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.602795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.602795 (E_RNA) where: Base-Base interactions energy: -134.789 where: short stacking energy: -100.702 Base-Backbone interact. energy: -0.212 local terms energy: -222.602423 where: bonds (distance) C4'-P energy: -54.757 bonds (distance) P-C4' energy: -57.541 flat angles C4'-P-C4' energy: -68.900 flat angles P-C4'-P energy: -32.597 tors. eta vs tors. theta energy: -8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -277.499571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.499571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.499571 (E_RNA) where: Base-Base interactions energy: -83.209 where: short stacking energy: -75.566 Base-Backbone interact. energy: 4.050 local terms energy: -198.340380 where: bonds (distance) C4'-P energy: -61.614 bonds (distance) P-C4' energy: -51.467 flat angles C4'-P-C4' energy: -53.136 flat angles P-C4'-P energy: -28.931 tors. eta vs tors. theta energy: -3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1184.065523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.065523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.065523 (E_RNA) where: Base-Base interactions energy: -821.231 where: short stacking energy: -364.926 Base-Backbone interact. energy: 0.180 local terms energy: -363.015063 where: bonds (distance) C4'-P energy: -70.249 bonds (distance) P-C4' energy: -72.356 flat angles C4'-P-C4' energy: -78.696 flat angles P-C4'-P energy: -40.425 tors. eta vs tors. theta energy: -101.289 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: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1135.812499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.812499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.812499 (E_RNA) where: Base-Base interactions energy: -775.699 where: short stacking energy: -362.602 Base-Backbone interact. energy: -0.224 local terms energy: -359.889373 where: bonds (distance) C4'-P energy: -65.455 bonds (distance) P-C4' energy: -61.688 flat angles C4'-P-C4' energy: -75.013 flat angles P-C4'-P energy: -52.280 tors. eta vs tors. theta energy: -105.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1042.614673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.614673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.614673 (E_RNA) where: Base-Base interactions energy: -682.808 where: short stacking energy: -330.940 Base-Backbone interact. energy: -0.274 local terms energy: -359.532739 where: bonds (distance) C4'-P energy: -66.208 bonds (distance) P-C4' energy: -66.354 flat angles C4'-P-C4' energy: -72.101 flat angles P-C4'-P energy: -58.947 tors. eta vs tors. theta energy: -95.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1013.686153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.686153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.686153 (E_RNA) where: Base-Base interactions energy: -667.548 where: short stacking energy: -327.509 Base-Backbone interact. energy: -0.946 local terms energy: -345.192492 where: bonds (distance) C4'-P energy: -61.396 bonds (distance) P-C4' energy: -71.307 flat angles C4'-P-C4' energy: -65.442 flat angles P-C4'-P energy: -51.428 tors. eta vs tors. theta energy: -95.619 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: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -912.654678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.654678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.654678 (E_RNA) where: Base-Base interactions energy: -626.842 where: short stacking energy: -282.579 Base-Backbone interact. energy: -1.793 local terms energy: -284.020377 where: bonds (distance) C4'-P energy: -43.354 bonds (distance) P-C4' energy: -63.877 flat angles C4'-P-C4' energy: -69.435 flat angles P-C4'-P energy: -38.098 tors. eta vs tors. theta energy: -69.256 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: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -859.206934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.206934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.206934 (E_RNA) where: Base-Base interactions energy: -593.868 where: short stacking energy: -256.535 Base-Backbone interact. energy: 1.299 local terms energy: -266.638377 where: bonds (distance) C4'-P energy: -51.291 bonds (distance) P-C4' energy: -58.097 flat angles C4'-P-C4' energy: -51.653 flat angles P-C4'-P energy: -35.040 tors. eta vs tors. theta energy: -70.558 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: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -750.895592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.895592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.895592 (E_RNA) where: Base-Base interactions energy: -457.442 where: short stacking energy: -249.041 Base-Backbone interact. energy: -2.259 local terms energy: -291.194384 where: bonds (distance) C4'-P energy: -53.597 bonds (distance) P-C4' energy: -73.804 flat angles C4'-P-C4' energy: -58.558 flat angles P-C4'-P energy: -50.463 tors. eta vs tors. theta energy: -54.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -465.848183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.848183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.848183 (E_RNA) where: Base-Base interactions energy: -260.990 where: short stacking energy: -143.273 Base-Backbone interact. energy: 1.123 local terms energy: -205.981285 where: bonds (distance) C4'-P energy: -44.682 bonds (distance) P-C4' energy: -61.986 flat angles C4'-P-C4' energy: -52.622 flat angles P-C4'-P energy: -29.767 tors. eta vs tors. theta energy: -16.926 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: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -361.983973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.983973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.983973 (E_RNA) where: Base-Base interactions energy: -157.894 where: short stacking energy: -107.136 Base-Backbone interact. energy: 0.147 local terms energy: -204.236774 where: bonds (distance) C4'-P energy: -60.066 bonds (distance) P-C4' energy: -54.155 flat angles C4'-P-C4' energy: -51.173 flat angles P-C4'-P energy: -32.929 tors. eta vs tors. theta energy: -5.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -270.540801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.540801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.540801 (E_RNA) where: Base-Base interactions energy: -86.414 where: short stacking energy: -72.636 Base-Backbone interact. energy: 1.422 local terms energy: -185.549514 where: bonds (distance) C4'-P energy: -60.095 bonds (distance) P-C4' energy: -55.786 flat angles C4'-P-C4' energy: -46.716 flat angles P-C4'-P energy: -30.324 tors. eta vs tors. theta energy: 7.372 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: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1168.496272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.496272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.496272 (E_RNA) where: Base-Base interactions energy: -802.000 where: short stacking energy: -363.041 Base-Backbone interact. energy: -2.075 local terms energy: -364.421277 where: bonds (distance) C4'-P energy: -66.062 bonds (distance) P-C4' energy: -71.220 flat angles C4'-P-C4' energy: -77.321 flat angles P-C4'-P energy: -48.032 tors. eta vs tors. theta energy: -101.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1133.492585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.492585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.492585 (E_RNA) where: Base-Base interactions energy: -764.565 where: short stacking energy: -371.179 Base-Backbone interact. energy: -0.304 local terms energy: -368.624049 where: bonds (distance) C4'-P energy: -62.216 bonds (distance) P-C4' energy: -72.447 flat angles C4'-P-C4' energy: -76.858 flat angles P-C4'-P energy: -51.886 tors. eta vs tors. theta energy: -105.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1043.194747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.194747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.194747 (E_RNA) where: Base-Base interactions energy: -687.389 where: short stacking energy: -310.997 Base-Backbone interact. energy: -2.531 local terms energy: -353.274927 where: bonds (distance) C4'-P energy: -68.472 bonds (distance) P-C4' energy: -60.927 flat angles C4'-P-C4' energy: -82.226 flat angles P-C4'-P energy: -54.619 tors. eta vs tors. theta energy: -87.030 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: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1028.333675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.333675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.333675 (E_RNA) where: Base-Base interactions energy: -681.246 where: short stacking energy: -327.380 Base-Backbone interact. energy: -0.021 local terms energy: -347.066799 where: bonds (distance) C4'-P energy: -74.878 bonds (distance) P-C4' energy: -67.220 flat angles C4'-P-C4' energy: -72.085 flat angles P-C4'-P energy: -42.338 tors. eta vs tors. theta energy: -90.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -936.429038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.429038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.429038 (E_RNA) where: Base-Base interactions energy: -619.127 where: short stacking energy: -286.702 Base-Backbone interact. energy: -0.869 local terms energy: -316.432468 where: bonds (distance) C4'-P energy: -59.391 bonds (distance) P-C4' energy: -58.931 flat angles C4'-P-C4' energy: -71.751 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: -73.940 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: 357 Temperature: 1.150000 Total energy: -880.467074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.467074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.467074 (E_RNA) where: Base-Base interactions energy: -582.223 where: short stacking energy: -262.785 Base-Backbone interact. energy: -0.681 local terms energy: -297.563594 where: bonds (distance) C4'-P energy: -62.083 bonds (distance) P-C4' energy: -67.520 flat angles C4'-P-C4' energy: -62.494 flat angles P-C4'-P energy: -37.355 tors. eta vs tors. theta energy: -68.112 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: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -743.615638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.615638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.615638 (E_RNA) where: Base-Base interactions energy: -465.799 where: short stacking energy: -229.106 Base-Backbone interact. energy: -0.484 local terms energy: -277.332465 where: bonds (distance) C4'-P energy: -67.554 bonds (distance) P-C4' energy: -58.174 flat angles C4'-P-C4' energy: -62.122 flat angles P-C4'-P energy: -32.514 tors. eta vs tors. theta energy: -56.969 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: 2 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -447.719274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.719274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.719274 (E_RNA) where: Base-Base interactions energy: -227.211 where: short stacking energy: -116.489 Base-Backbone interact. energy: 1.389 local terms energy: -221.897051 where: bonds (distance) C4'-P energy: -52.057 bonds (distance) P-C4' energy: -68.933 flat angles C4'-P-C4' energy: -53.582 flat angles P-C4'-P energy: -36.711 tors. eta vs tors. theta energy: -10.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -358.123907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.123907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.123907 (E_RNA) where: Base-Base interactions energy: -177.762 where: short stacking energy: -115.628 Base-Backbone interact. energy: -0.416 local terms energy: -179.945328 where: bonds (distance) C4'-P energy: -64.235 bonds (distance) P-C4' energy: -57.710 flat angles C4'-P-C4' energy: -44.938 flat angles P-C4'-P energy: -19.955 tors. eta vs tors. theta energy: 6.892 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: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -315.171990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.171990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.171990 (E_RNA) where: Base-Base interactions energy: -117.975 where: short stacking energy: -103.840 Base-Backbone interact. energy: -0.696 local terms energy: -196.501513 where: bonds (distance) C4'-P energy: -54.868 bonds (distance) P-C4' energy: -58.491 flat angles C4'-P-C4' energy: -47.672 flat angles P-C4'-P energy: -28.755 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1178.621415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.621415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.621415 (E_RNA) where: Base-Base interactions energy: -803.651 where: short stacking energy: -349.472 Base-Backbone interact. energy: -1.773 local terms energy: -373.197205 where: bonds (distance) C4'-P energy: -75.405 bonds (distance) P-C4' energy: -74.940 flat angles C4'-P-C4' energy: -79.355 flat angles P-C4'-P energy: -47.796 tors. eta vs tors. theta energy: -95.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1123.714657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.714657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.714657 (E_RNA) where: Base-Base interactions energy: -763.243 where: short stacking energy: -348.023 Base-Backbone interact. energy: -0.667 local terms energy: -359.805168 where: bonds (distance) C4'-P energy: -52.782 bonds (distance) P-C4' energy: -69.220 flat angles C4'-P-C4' energy: -78.932 flat angles P-C4'-P energy: -56.177 tors. eta vs tors. theta energy: -102.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1058.998225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.998225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.998225 (E_RNA) where: Base-Base interactions energy: -688.186 where: short stacking energy: -338.397 Base-Backbone interact. energy: -0.495 local terms energy: -370.316830 where: bonds (distance) C4'-P energy: -64.695 bonds (distance) P-C4' energy: -58.759 flat angles C4'-P-C4' energy: -81.126 flat angles P-C4'-P energy: -56.025 tors. eta vs tors. theta energy: -109.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1037.126972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.126972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.126972 (E_RNA) where: Base-Base interactions energy: -690.162 where: short stacking energy: -334.281 Base-Backbone interact. energy: -1.432 local terms energy: -345.533298 where: bonds (distance) C4'-P energy: -67.651 bonds (distance) P-C4' energy: -65.342 flat angles C4'-P-C4' energy: -70.081 flat angles P-C4'-P energy: -50.541 tors. eta vs tors. theta energy: -91.919 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: 5, replica: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -925.340346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.340346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.340346 (E_RNA) where: Base-Base interactions energy: -598.330 where: short stacking energy: -275.504 Base-Backbone interact. energy: -0.342 local terms energy: -326.668707 where: bonds (distance) C4'-P energy: -64.158 bonds (distance) P-C4' energy: -60.350 flat angles C4'-P-C4' energy: -61.774 flat angles P-C4'-P energy: -53.726 tors. eta vs tors. theta energy: -86.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -891.145347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.145347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.145347 (E_RNA) where: Base-Base interactions energy: -587.537 where: short stacking energy: -285.484 Base-Backbone interact. energy: -1.596 local terms energy: -302.011942 where: bonds (distance) C4'-P energy: -56.722 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -69.890 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: -72.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -745.939220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.939220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.939220 (E_RNA) where: Base-Base interactions energy: -465.050 where: short stacking energy: -229.653 Base-Backbone interact. energy: -0.414 local terms energy: -280.475176 where: bonds (distance) C4'-P energy: -60.459 bonds (distance) P-C4' energy: -70.806 flat angles C4'-P-C4' energy: -60.372 flat angles P-C4'-P energy: -34.518 tors. eta vs tors. theta energy: -54.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -493.639296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.639296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.639296 (E_RNA) where: Base-Base interactions energy: -277.242 where: short stacking energy: -161.844 Base-Backbone interact. energy: -0.030 local terms energy: -216.367170 where: bonds (distance) C4'-P energy: -54.767 bonds (distance) P-C4' energy: -53.298 flat angles C4'-P-C4' energy: -59.304 flat angles P-C4'-P energy: -25.549 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: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -433.820388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.820388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.820388 (E_RNA) where: Base-Base interactions energy: -210.618 where: short stacking energy: -141.374 Base-Backbone interact. energy: -0.703 local terms energy: -222.499210 where: bonds (distance) C4'-P energy: -56.897 bonds (distance) P-C4' energy: -59.734 flat angles C4'-P-C4' energy: -53.998 flat angles P-C4'-P energy: -35.832 tors. eta vs tors. theta energy: -16.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -288.646384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.646384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.646384 (E_RNA) where: Base-Base interactions energy: -103.920 where: short stacking energy: -94.943 Base-Backbone interact. energy: -1.154 local terms energy: -183.572407 where: bonds (distance) C4'-P energy: -39.856 bonds (distance) P-C4' energy: -48.689 flat angles C4'-P-C4' energy: -55.992 flat angles P-C4'-P energy: -38.405 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: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1195.439724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.439724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.439724 (E_RNA) where: Base-Base interactions energy: -801.764 where: short stacking energy: -351.288 Base-Backbone interact. energy: -1.523 local terms energy: -392.152739 where: bonds (distance) C4'-P energy: -76.615 bonds (distance) P-C4' energy: -77.262 flat angles C4'-P-C4' energy: -77.522 flat angles P-C4'-P energy: -53.862 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: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1133.015427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.015427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.015427 (E_RNA) where: Base-Base interactions energy: -757.759 where: short stacking energy: -361.467 Base-Backbone interact. energy: -0.641 local terms energy: -374.614603 where: bonds (distance) C4'-P energy: -68.780 bonds (distance) P-C4' energy: -69.287 flat angles C4'-P-C4' energy: -79.786 flat angles P-C4'-P energy: -53.673 tors. eta vs tors. theta energy: -103.089 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: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1047.255366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.255366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.255366 (E_RNA) where: Base-Base interactions energy: -690.520 where: short stacking energy: -329.057 Base-Backbone interact. energy: -0.934 local terms energy: -355.801683 where: bonds (distance) C4'-P energy: -71.147 bonds (distance) P-C4' energy: -64.621 flat angles C4'-P-C4' energy: -74.737 flat angles P-C4'-P energy: -52.157 tors. eta vs tors. theta energy: -93.140 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: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1021.855580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.855580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.855580 (E_RNA) where: Base-Base interactions energy: -700.425 where: short stacking energy: -319.163 Base-Backbone interact. energy: 1.800 local terms energy: -323.230723 where: bonds (distance) C4'-P energy: -66.953 bonds (distance) P-C4' energy: -64.616 flat angles C4'-P-C4' energy: -66.858 flat angles P-C4'-P energy: -36.273 tors. eta vs tors. theta energy: -88.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -944.766413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.766413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.766413 (E_RNA) where: Base-Base interactions energy: -647.567 where: short stacking energy: -279.820 Base-Backbone interact. energy: 1.049 local terms energy: -298.248508 where: bonds (distance) C4'-P energy: -60.110 bonds (distance) P-C4' energy: -65.536 flat angles C4'-P-C4' energy: -65.871 flat angles P-C4'-P energy: -38.321 tors. eta vs tors. theta energy: -68.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -873.550951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.550951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.550951 (E_RNA) where: Base-Base interactions energy: -589.734 where: short stacking energy: -274.145 Base-Backbone interact. energy: -0.851 local terms energy: -282.966032 where: bonds (distance) C4'-P energy: -63.793 bonds (distance) P-C4' energy: -55.315 flat angles C4'-P-C4' energy: -58.238 flat angles P-C4'-P energy: -42.086 tors. eta vs tors. theta energy: -63.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -739.839878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.839878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.839878 (E_RNA) where: Base-Base interactions energy: -458.639 where: short stacking energy: -236.600 Base-Backbone interact. energy: 0.582 local terms energy: -281.783659 where: bonds (distance) C4'-P energy: -44.532 bonds (distance) P-C4' energy: -60.912 flat angles C4'-P-C4' energy: -63.200 flat angles P-C4'-P energy: -46.516 tors. eta vs tors. theta energy: -66.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -510.863882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.863882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.863882 (E_RNA) where: Base-Base interactions energy: -285.699 where: short stacking energy: -164.450 Base-Backbone interact. energy: 1.017 local terms energy: -226.180995 where: bonds (distance) C4'-P energy: -60.591 bonds (distance) P-C4' energy: -56.326 flat angles C4'-P-C4' energy: -53.575 flat angles P-C4'-P energy: -32.523 tors. eta vs tors. theta energy: -23.166 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: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -480.117739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.117739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.117739 (E_RNA) where: Base-Base interactions energy: -266.463 where: short stacking energy: -125.031 Base-Backbone interact. energy: -2.033 local terms energy: -211.621231 where: bonds (distance) C4'-P energy: -61.168 bonds (distance) P-C4' energy: -56.551 flat angles C4'-P-C4' energy: -63.212 flat angles P-C4'-P energy: -22.193 tors. eta vs tors. theta energy: -8.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -330.815327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.815327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.815327 (E_RNA) where: Base-Base interactions energy: -138.694 where: short stacking energy: -100.428 Base-Backbone interact. energy: -1.850 local terms energy: -190.271009 where: bonds (distance) C4'-P energy: -62.674 bonds (distance) P-C4' energy: -63.229 flat angles C4'-P-C4' energy: -48.620 flat angles P-C4'-P energy: -27.692 tors. eta vs tors. theta energy: 11.945 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: 1, replica: 1 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1159.513485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.513485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.513485 (E_RNA) where: Base-Base interactions energy: -786.944 where: short stacking energy: -357.960 Base-Backbone interact. energy: -0.857 local terms energy: -371.712216 where: bonds (distance) C4'-P energy: -71.030 bonds (distance) P-C4' energy: -58.925 flat angles C4'-P-C4' energy: -79.988 flat angles P-C4'-P energy: -57.260 tors. eta vs tors. theta energy: -104.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1151.427760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.427760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.427760 (E_RNA) where: Base-Base interactions energy: -792.838 where: short stacking energy: -350.783 Base-Backbone interact. energy: -1.026 local terms energy: -357.563705 where: bonds (distance) C4'-P energy: -71.765 bonds (distance) P-C4' energy: -61.247 flat angles C4'-P-C4' energy: -75.861 flat angles P-C4'-P energy: -51.154 tors. eta vs tors. theta energy: -97.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1057.532474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.532474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.532474 (E_RNA) where: Base-Base interactions energy: -715.507 where: short stacking energy: -308.862 Base-Backbone interact. energy: -1.147 local terms energy: -340.878457 where: bonds (distance) C4'-P energy: -58.009 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -75.776 flat angles P-C4'-P energy: -56.054 tors. eta vs tors. theta energy: -83.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1041.032533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.032533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.032533 (E_RNA) where: Base-Base interactions energy: -687.289 where: short stacking energy: -325.504 Base-Backbone interact. energy: 1.886 local terms energy: -355.629925 where: bonds (distance) C4'-P energy: -65.153 bonds (distance) P-C4' energy: -68.663 flat angles C4'-P-C4' energy: -76.340 flat angles P-C4'-P energy: -44.969 tors. eta vs tors. theta energy: -100.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -944.651904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.651904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.651904 (E_RNA) where: Base-Base interactions energy: -622.108 where: short stacking energy: -293.365 Base-Backbone interact. energy: -0.763 local terms energy: -321.781473 where: bonds (distance) C4'-P energy: -63.020 bonds (distance) P-C4' energy: -76.119 flat angles C4'-P-C4' energy: -70.494 flat angles P-C4'-P energy: -45.300 tors. eta vs tors. theta energy: -66.849 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: 9 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -840.356766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.356766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.356766 (E_RNA) where: Base-Base interactions energy: -552.035 where: short stacking energy: -255.918 Base-Backbone interact. energy: -0.301 local terms energy: -288.020538 where: bonds (distance) C4'-P energy: -56.821 bonds (distance) P-C4' energy: -53.659 flat angles C4'-P-C4' energy: -60.947 flat angles P-C4'-P energy: -51.965 tors. eta vs tors. theta energy: -64.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -709.705583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.705583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.705583 (E_RNA) where: Base-Base interactions energy: -431.645 where: short stacking energy: -218.423 Base-Backbone interact. energy: -1.585 local terms energy: -276.475394 where: bonds (distance) C4'-P energy: -69.440 bonds (distance) P-C4' energy: -53.766 flat angles C4'-P-C4' energy: -63.223 flat angles P-C4'-P energy: -42.049 tors. eta vs tors. theta energy: -47.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -499.627841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.627841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.627841 (E_RNA) where: Base-Base interactions energy: -267.391 where: short stacking energy: -151.247 Base-Backbone interact. energy: -0.550 local terms energy: -231.686869 where: bonds (distance) C4'-P energy: -63.329 bonds (distance) P-C4' energy: -54.927 flat angles C4'-P-C4' energy: -54.479 flat angles P-C4'-P energy: -38.586 tors. eta vs tors. theta energy: -20.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -451.801323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.801323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.801323 (E_RNA) where: Base-Base interactions energy: -242.672 where: short stacking energy: -135.947 Base-Backbone interact. energy: 5.096 local terms energy: -214.225145 where: bonds (distance) C4'-P energy: -62.869 bonds (distance) P-C4' energy: -63.667 flat angles C4'-P-C4' energy: -48.045 flat angles P-C4'-P energy: -37.569 tors. eta vs tors. theta energy: -2.075 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: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -346.574843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.574843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.574843 (E_RNA) where: Base-Base interactions energy: -155.102 where: short stacking energy: -104.940 Base-Backbone interact. energy: 1.368 local terms energy: -192.840309 where: bonds (distance) C4'-P energy: -48.710 bonds (distance) P-C4' energy: -65.528 flat angles C4'-P-C4' energy: -49.474 flat angles P-C4'-P energy: -30.237 tors. eta vs tors. theta energy: 1.108 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: 1 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1167.239104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.239104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.239104 (E_RNA) where: Base-Base interactions energy: -802.288 where: short stacking energy: -368.087 Base-Backbone interact. energy: -0.786 local terms energy: -364.164790 where: bonds (distance) C4'-P energy: -65.818 bonds (distance) P-C4' energy: -67.413 flat angles C4'-P-C4' energy: -74.635 flat angles P-C4'-P energy: -44.568 tors. eta vs tors. theta energy: -111.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1164.214899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.214899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.214899 (E_RNA) where: Base-Base interactions energy: -790.037 where: short stacking energy: -362.072 Base-Backbone interact. energy: -1.005 local terms energy: -373.172456 where: bonds (distance) C4'-P energy: -65.924 bonds (distance) P-C4' energy: -70.429 flat angles C4'-P-C4' energy: -81.141 flat angles P-C4'-P energy: -47.431 tors. eta vs tors. theta energy: -108.248 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: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1067.168470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.168470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.168470 (E_RNA) where: Base-Base interactions energy: -711.324 where: short stacking energy: -321.656 Base-Backbone interact. energy: -0.180 local terms energy: -355.664167 where: bonds (distance) C4'-P energy: -60.334 bonds (distance) P-C4' energy: -67.468 flat angles C4'-P-C4' energy: -73.088 flat angles P-C4'-P energy: -52.060 tors. eta vs tors. theta energy: -102.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1046.217515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.217515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.217515 (E_RNA) where: Base-Base interactions energy: -695.963 where: short stacking energy: -335.097 Base-Backbone interact. energy: -0.823 local terms energy: -349.431371 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -58.439 flat angles C4'-P-C4' energy: -78.772 flat angles P-C4'-P energy: -41.186 tors. eta vs tors. theta energy: -107.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -899.049664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.049664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.049664 (E_RNA) where: Base-Base interactions energy: -593.400 where: short stacking energy: -267.070 Base-Backbone interact. energy: 1.107 local terms energy: -306.756672 where: bonds (distance) C4'-P energy: -56.266 bonds (distance) P-C4' energy: -67.688 flat angles C4'-P-C4' energy: -68.881 flat angles P-C4'-P energy: -39.411 tors. eta vs tors. theta energy: -74.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -881.049659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.049659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.049659 (E_RNA) where: Base-Base interactions energy: -564.996 where: short stacking energy: -273.855 Base-Backbone interact. energy: -0.830 local terms energy: -315.223379 where: bonds (distance) C4'-P energy: -65.165 bonds (distance) P-C4' energy: -65.734 flat angles C4'-P-C4' energy: -71.265 flat angles P-C4'-P energy: -42.898 tors. eta vs tors. theta energy: -70.162 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: 361 Temperature: 1.200000 Total energy: -713.179204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.179204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.179204 (E_RNA) where: Base-Base interactions energy: -441.194 where: short stacking energy: -223.769 Base-Backbone interact. energy: -1.759 local terms energy: -270.226331 where: bonds (distance) C4'-P energy: -39.896 bonds (distance) P-C4' energy: -68.995 flat angles C4'-P-C4' energy: -66.471 flat angles P-C4'-P energy: -39.829 tors. eta vs tors. theta energy: -55.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -504.655792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.655792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.655792 (E_RNA) where: Base-Base interactions energy: -273.147 where: short stacking energy: -143.104 Base-Backbone interact. energy: 3.195 local terms energy: -234.703643 where: bonds (distance) C4'-P energy: -59.884 bonds (distance) P-C4' energy: -61.979 flat angles C4'-P-C4' energy: -63.461 flat angles P-C4'-P energy: -31.960 tors. eta vs tors. theta energy: -17.420 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: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -407.671965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.671965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.671965 (E_RNA) where: Base-Base interactions energy: -209.155 where: short stacking energy: -115.714 Base-Backbone interact. energy: 1.090 local terms energy: -199.606551 where: bonds (distance) C4'-P energy: -54.916 bonds (distance) P-C4' energy: -62.852 flat angles C4'-P-C4' energy: -47.469 flat angles P-C4'-P energy: -28.878 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -330.417043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.417043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.417043 (E_RNA) where: Base-Base interactions energy: -129.176 where: short stacking energy: -97.213 Base-Backbone interact. energy: -1.163 local terms energy: -200.078006 where: bonds (distance) C4'-P energy: -52.668 bonds (distance) P-C4' energy: -65.603 flat angles C4'-P-C4' energy: -61.288 flat angles P-C4'-P energy: -27.287 tors. eta vs tors. theta energy: 6.768 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: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1183.458491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.458491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.458491 (E_RNA) where: Base-Base interactions energy: -796.138 where: short stacking energy: -360.018 Base-Backbone interact. energy: -0.319 local terms energy: -387.001296 where: bonds (distance) C4'-P energy: -68.751 bonds (distance) P-C4' energy: -76.139 flat angles C4'-P-C4' energy: -78.161 flat angles P-C4'-P energy: -59.381 tors. eta vs tors. theta energy: -104.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1140.016010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.016010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.016010 (E_RNA) where: Base-Base interactions energy: -773.627 where: short stacking energy: -360.447 Base-Backbone interact. energy: -1.364 local terms energy: -365.025477 where: bonds (distance) C4'-P energy: -61.063 bonds (distance) P-C4' energy: -71.022 flat angles C4'-P-C4' energy: -78.992 flat angles P-C4'-P energy: -43.646 tors. eta vs tors. theta energy: -110.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1059.202892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.202892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.202892 (E_RNA) where: Base-Base interactions energy: -711.884 where: short stacking energy: -317.828 Base-Backbone interact. energy: 0.572 local terms energy: -347.890785 where: bonds (distance) C4'-P energy: -63.858 bonds (distance) P-C4' energy: -69.077 flat angles C4'-P-C4' energy: -77.070 flat angles P-C4'-P energy: -44.086 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: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1077.012595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.012595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.012595 (E_RNA) where: Base-Base interactions energy: -714.399 where: short stacking energy: -334.263 Base-Backbone interact. energy: -0.209 local terms energy: -362.404670 where: bonds (distance) C4'-P energy: -65.347 bonds (distance) P-C4' energy: -62.440 flat angles C4'-P-C4' energy: -81.883 flat angles P-C4'-P energy: -57.848 tors. eta vs tors. theta energy: -94.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -915.505823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.505823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.505823 (E_RNA) where: Base-Base interactions energy: -604.583 where: short stacking energy: -285.350 Base-Backbone interact. energy: -0.397 local terms energy: -310.526205 where: bonds (distance) C4'-P energy: -61.637 bonds (distance) P-C4' energy: -66.788 flat angles C4'-P-C4' energy: -66.773 flat angles P-C4'-P energy: -38.803 tors. eta vs tors. theta energy: -76.526 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: 362 Temperature: 1.150000 Total energy: -891.184690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.184690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.184690 (E_RNA) where: Base-Base interactions energy: -577.329 where: short stacking energy: -278.140 Base-Backbone interact. energy: -0.438 local terms energy: -313.417778 where: bonds (distance) C4'-P energy: -67.363 bonds (distance) P-C4' energy: -58.649 flat angles C4'-P-C4' energy: -71.345 flat angles P-C4'-P energy: -41.159 tors. eta vs tors. theta energy: -74.902 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: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -754.925417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.925417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.925417 (E_RNA) where: Base-Base interactions energy: -443.119 where: short stacking energy: -220.914 Base-Backbone interact. energy: 0.395 local terms energy: -312.201147 where: bonds (distance) C4'-P energy: -63.314 bonds (distance) P-C4' energy: -67.017 flat angles C4'-P-C4' energy: -78.677 flat angles P-C4'-P energy: -53.989 tors. eta vs tors. theta energy: -49.204 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: 8, replica: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -515.400986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.400986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.400986 (E_RNA) where: Base-Base interactions energy: -288.700 where: short stacking energy: -152.730 Base-Backbone interact. energy: 0.529 local terms energy: -227.229526 where: bonds (distance) C4'-P energy: -53.246 bonds (distance) P-C4' energy: -59.562 flat angles C4'-P-C4' energy: -64.151 flat angles P-C4'-P energy: -32.988 tors. eta vs tors. theta energy: -17.282 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: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -369.484024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.484024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.484024 (E_RNA) where: Base-Base interactions energy: -183.064 where: short stacking energy: -108.162 Base-Backbone interact. energy: 0.358 local terms energy: -186.778122 where: bonds (distance) C4'-P energy: -52.798 bonds (distance) P-C4' energy: -58.429 flat angles C4'-P-C4' energy: -57.832 flat angles P-C4'-P energy: -20.508 tors. eta vs tors. theta energy: 2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -283.429605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.429605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.429605 (E_RNA) where: Base-Base interactions energy: -99.757 where: short stacking energy: -87.299 Base-Backbone interact. energy: -1.035 local terms energy: -182.637295 where: bonds (distance) C4'-P energy: -58.426 bonds (distance) P-C4' energy: -57.917 flat angles C4'-P-C4' energy: -44.983 flat angles P-C4'-P energy: -25.599 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: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1184.200383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.200383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.200383 (E_RNA) where: Base-Base interactions energy: -800.993 where: short stacking energy: -363.424 Base-Backbone interact. energy: -1.029 local terms energy: -382.178783 where: bonds (distance) C4'-P energy: -70.788 bonds (distance) P-C4' energy: -68.936 flat angles C4'-P-C4' energy: -87.503 flat angles P-C4'-P energy: -47.543 tors. eta vs tors. theta energy: -107.409 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: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1129.250345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.250345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.250345 (E_RNA) where: Base-Base interactions energy: -748.369 where: short stacking energy: -358.168 Base-Backbone interact. energy: -0.855 local terms energy: -380.025823 where: bonds (distance) C4'-P energy: -70.627 bonds (distance) P-C4' energy: -68.277 flat angles C4'-P-C4' energy: -76.927 flat angles P-C4'-P energy: -59.616 tors. eta vs tors. theta energy: -104.579 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: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1027.557385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.557385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.557385 (E_RNA) where: Base-Base interactions energy: -703.070 where: short stacking energy: -322.799 Base-Backbone interact. energy: 0.977 local terms energy: -325.464688 where: bonds (distance) C4'-P energy: -49.588 bonds (distance) P-C4' energy: -59.721 flat angles C4'-P-C4' energy: -76.634 flat angles P-C4'-P energy: -51.083 tors. eta vs tors. theta energy: -88.439 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: 4 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -987.229688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.229688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.229688 (E_RNA) where: Base-Base interactions energy: -654.589 where: short stacking energy: -311.893 Base-Backbone interact. energy: -0.999 local terms energy: -331.642609 where: bonds (distance) C4'-P energy: -64.711 bonds (distance) P-C4' energy: -72.867 flat angles C4'-P-C4' energy: -63.581 flat angles P-C4'-P energy: -45.069 tors. eta vs tors. theta energy: -85.414 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: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -871.428517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.428517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.428517 (E_RNA) where: Base-Base interactions energy: -580.753 where: short stacking energy: -275.007 Base-Backbone interact. energy: 1.172 local terms energy: -291.847994 where: bonds (distance) C4'-P energy: -60.081 bonds (distance) P-C4' energy: -56.010 flat angles C4'-P-C4' energy: -72.029 flat angles P-C4'-P energy: -36.236 tors. eta vs tors. theta energy: -67.492 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: 9 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -883.086475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.086475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.086475 (E_RNA) where: Base-Base interactions energy: -589.614 where: short stacking energy: -266.254 Base-Backbone interact. energy: -0.534 local terms energy: -292.938705 where: bonds (distance) C4'-P energy: -67.692 bonds (distance) P-C4' energy: -61.234 flat angles C4'-P-C4' energy: -61.836 flat angles P-C4'-P energy: -32.039 tors. eta vs tors. theta energy: -70.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -688.033470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.033470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.033470 (E_RNA) where: Base-Base interactions energy: -428.142 where: short stacking energy: -217.759 Base-Backbone interact. energy: -1.706 local terms energy: -258.185418 where: bonds (distance) C4'-P energy: -51.075 bonds (distance) P-C4' energy: -60.175 flat angles C4'-P-C4' energy: -62.692 flat angles P-C4'-P energy: -33.855 tors. eta vs tors. theta energy: -50.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -515.794426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.794426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.794426 (E_RNA) where: Base-Base interactions energy: -275.375 where: short stacking energy: -174.923 Base-Backbone interact. energy: -1.918 local terms energy: -238.501673 where: bonds (distance) C4'-P energy: -43.506 bonds (distance) P-C4' energy: -70.855 flat angles C4'-P-C4' energy: -63.600 flat angles P-C4'-P energy: -42.251 tors. eta vs tors. theta energy: -18.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -403.639665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.639665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.639665 (E_RNA) where: Base-Base interactions energy: -204.165 where: short stacking energy: -129.919 Base-Backbone interact. energy: -0.482 local terms energy: -198.993126 where: bonds (distance) C4'-P energy: -65.872 bonds (distance) P-C4' energy: -54.409 flat angles C4'-P-C4' energy: -47.115 flat angles P-C4'-P energy: -32.620 tors. eta vs tors. theta energy: 1.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -303.123106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.123106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.123106 (E_RNA) where: Base-Base interactions energy: -132.197 where: short stacking energy: -108.099 Base-Backbone interact. energy: -0.709 local terms energy: -170.216985 where: bonds (distance) C4'-P energy: -47.367 bonds (distance) P-C4' energy: -58.220 flat angles C4'-P-C4' energy: -45.930 flat angles P-C4'-P energy: -21.440 tors. eta vs tors. theta energy: 2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1174.361796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.361796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.361796 (E_RNA) where: Base-Base interactions energy: -804.207 where: short stacking energy: -357.010 Base-Backbone interact. energy: -1.134 local terms energy: -369.020463 where: bonds (distance) C4'-P energy: -67.014 bonds (distance) P-C4' energy: -70.828 flat angles C4'-P-C4' energy: -81.561 flat angles P-C4'-P energy: -52.569 tors. eta vs tors. theta energy: -97.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1128.198840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.198840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.198840 (E_RNA) where: Base-Base interactions energy: -756.348 where: short stacking energy: -364.065 Base-Backbone interact. energy: 0.791 local terms energy: -372.641265 where: bonds (distance) C4'-P energy: -66.261 bonds (distance) P-C4' energy: -61.598 flat angles C4'-P-C4' energy: -78.591 flat angles P-C4'-P energy: -54.137 tors. eta vs tors. theta energy: -112.054 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: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1036.040951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.040951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.040951 (E_RNA) where: Base-Base interactions energy: -696.732 where: short stacking energy: -319.694 Base-Backbone interact. energy: 2.433 local terms energy: -341.741913 where: bonds (distance) C4'-P energy: -57.097 bonds (distance) P-C4' energy: -72.201 flat angles C4'-P-C4' energy: -70.352 flat angles P-C4'-P energy: -59.942 tors. eta vs tors. theta energy: -82.150 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: 364 Temperature: 1.050000 Total energy: -973.203913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.203913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.203913 (E_RNA) where: Base-Base interactions energy: -652.673 where: short stacking energy: -311.105 Base-Backbone interact. energy: 0.518 local terms energy: -321.048429 where: bonds (distance) C4'-P energy: -57.602 bonds (distance) P-C4' energy: -63.587 flat angles C4'-P-C4' energy: -66.745 flat angles P-C4'-P energy: -43.275 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: 5, replica: 9 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -920.137861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.137861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.137861 (E_RNA) where: Base-Base interactions energy: -586.275 where: short stacking energy: -290.550 Base-Backbone interact. energy: -1.094 local terms energy: -332.769349 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -70.138 flat angles C4'-P-C4' energy: -73.248 flat angles P-C4'-P energy: -53.372 tors. eta vs tors. theta energy: -71.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -838.190652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.190652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.190652 (E_RNA) where: Base-Base interactions energy: -572.691 where: short stacking energy: -252.926 Base-Backbone interact. energy: -1.210 local terms energy: -264.289856 where: bonds (distance) C4'-P energy: -57.269 bonds (distance) P-C4' energy: -50.627 flat angles C4'-P-C4' energy: -59.958 flat angles P-C4'-P energy: -34.906 tors. eta vs tors. theta energy: -61.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -521.737277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.737277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.737277 (E_RNA) where: Base-Base interactions energy: -283.115 where: short stacking energy: -150.811 Base-Backbone interact. energy: 0.627 local terms energy: -239.249217 where: bonds (distance) C4'-P energy: -65.744 bonds (distance) P-C4' energy: -72.731 flat angles C4'-P-C4' energy: -59.398 flat angles P-C4'-P energy: -27.451 tors. eta vs tors. theta energy: -13.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -566.293199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.293199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.293199 (E_RNA) where: Base-Base interactions energy: -345.328 where: short stacking energy: -157.167 Base-Backbone interact. energy: 1.003 local terms energy: -221.968657 where: bonds (distance) C4'-P energy: -61.501 bonds (distance) P-C4' energy: -51.692 flat angles C4'-P-C4' energy: -55.039 flat angles P-C4'-P energy: -26.930 tors. eta vs tors. theta energy: -26.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -409.357686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.357686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.357686 (E_RNA) where: Base-Base interactions energy: -189.883 where: short stacking energy: -120.512 Base-Backbone interact. energy: 2.468 local terms energy: -221.942789 where: bonds (distance) C4'-P energy: -60.728 bonds (distance) P-C4' energy: -63.449 flat angles C4'-P-C4' energy: -54.056 flat angles P-C4'-P energy: -29.974 tors. eta vs tors. theta energy: -13.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -286.949628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.949628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.949628 (E_RNA) where: Base-Base interactions energy: -107.737 where: short stacking energy: -99.545 Base-Backbone interact. energy: -0.448 local terms energy: -178.763888 where: bonds (distance) C4'-P energy: -47.114 bonds (distance) P-C4' energy: -43.162 flat angles C4'-P-C4' energy: -50.108 flat angles P-C4'-P energy: -32.750 tors. eta vs tors. theta energy: -5.630 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: 365 Temperature: 0.900000 Total energy: -1174.078758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.078758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.078758 (E_RNA) where: Base-Base interactions energy: -799.682 where: short stacking energy: -376.490 Base-Backbone interact. energy: -1.070 local terms energy: -373.327350 where: bonds (distance) C4'-P energy: -67.827 bonds (distance) P-C4' energy: -68.658 flat angles C4'-P-C4' energy: -74.826 flat angles P-C4'-P energy: -50.849 tors. eta vs tors. theta energy: -111.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1130.490440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.490440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.490440 (E_RNA) where: Base-Base interactions energy: -759.245 where: short stacking energy: -367.504 Base-Backbone interact. energy: -0.716 local terms energy: -370.529557 where: bonds (distance) C4'-P energy: -69.679 bonds (distance) P-C4' energy: -68.603 flat angles C4'-P-C4' energy: -76.391 flat angles P-C4'-P energy: -49.442 tors. eta vs tors. theta energy: -106.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1048.356272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.356272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.356272 (E_RNA) where: Base-Base interactions energy: -722.449 where: short stacking energy: -336.359 Base-Backbone interact. energy: -0.844 local terms energy: -325.063343 where: bonds (distance) C4'-P energy: -63.003 bonds (distance) P-C4' energy: -54.555 flat angles C4'-P-C4' energy: -77.371 flat angles P-C4'-P energy: -38.601 tors. eta vs tors. theta energy: -91.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -996.388986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.388986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.388986 (E_RNA) where: Base-Base interactions energy: -650.163 where: short stacking energy: -306.705 Base-Backbone interact. energy: -0.370 local terms energy: -345.855440 where: bonds (distance) C4'-P energy: -67.845 bonds (distance) P-C4' energy: -67.272 flat angles C4'-P-C4' energy: -71.378 flat angles P-C4'-P energy: -50.512 tors. eta vs tors. theta energy: -88.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -866.735266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.735266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.735266 (E_RNA) where: Base-Base interactions energy: -556.639 where: short stacking energy: -273.288 Base-Backbone interact. energy: -0.354 local terms energy: -309.742544 where: bonds (distance) C4'-P energy: -62.713 bonds (distance) P-C4' energy: -59.945 flat angles C4'-P-C4' energy: -67.488 flat angles P-C4'-P energy: -47.687 tors. eta vs tors. theta energy: -71.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -808.145795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.145795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.145795 (E_RNA) where: Base-Base interactions energy: -538.177 where: short stacking energy: -223.369 Base-Backbone interact. energy: -0.426 local terms energy: -269.542317 where: bonds (distance) C4'-P energy: -47.156 bonds (distance) P-C4' energy: -67.434 flat angles C4'-P-C4' energy: -56.661 flat angles P-C4'-P energy: -40.527 tors. eta vs tors. theta energy: -57.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -496.359724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.359724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.359724 (E_RNA) where: Base-Base interactions energy: -252.697 where: short stacking energy: -153.731 Base-Backbone interact. energy: -2.622 local terms energy: -241.040307 where: bonds (distance) C4'-P energy: -74.889 bonds (distance) P-C4' energy: -55.588 flat angles C4'-P-C4' energy: -59.472 flat angles P-C4'-P energy: -35.291 tors. eta vs tors. theta energy: -15.800 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: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -574.585615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.585615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.585615 (E_RNA) where: Base-Base interactions energy: -330.143 where: short stacking energy: -179.623 Base-Backbone interact. energy: -0.693 local terms energy: -243.749219 where: bonds (distance) C4'-P energy: -57.602 bonds (distance) P-C4' energy: -61.995 flat angles C4'-P-C4' energy: -63.051 flat angles P-C4'-P energy: -33.077 tors. eta vs tors. theta energy: -28.025 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: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -403.904378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.904378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.904378 (E_RNA) where: Base-Base interactions energy: -190.362 where: short stacking energy: -124.386 Base-Backbone interact. energy: -0.424 local terms energy: -213.117568 where: bonds (distance) C4'-P energy: -61.561 bonds (distance) P-C4' energy: -51.211 flat angles C4'-P-C4' energy: -58.170 flat angles P-C4'-P energy: -30.888 tors. eta vs tors. theta energy: -11.288 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: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -311.688923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.688923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.688923 (E_RNA) where: Base-Base interactions energy: -109.920 where: short stacking energy: -95.913 Base-Backbone interact. energy: 4.715 local terms energy: -206.483546 where: bonds (distance) C4'-P energy: -65.294 bonds (distance) P-C4' energy: -63.177 flat angles C4'-P-C4' energy: -45.094 flat angles P-C4'-P energy: -33.123 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1181.192094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.192094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.192094 (E_RNA) where: Base-Base interactions energy: -791.271 where: short stacking energy: -385.357 Base-Backbone interact. energy: -1.567 local terms energy: -388.355064 where: bonds (distance) C4'-P energy: -68.893 bonds (distance) P-C4' energy: -79.238 flat angles C4'-P-C4' energy: -76.337 flat angles P-C4'-P energy: -56.261 tors. eta vs tors. theta energy: -107.625 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: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1143.242063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.242063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.242063 (E_RNA) where: Base-Base interactions energy: -763.973 where: short stacking energy: -344.428 Base-Backbone interact. energy: 0.322 local terms energy: -379.591345 where: bonds (distance) C4'-P energy: -68.279 bonds (distance) P-C4' energy: -76.784 flat angles C4'-P-C4' energy: -81.340 flat angles P-C4'-P energy: -48.175 tors. eta vs tors. theta energy: -105.014 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: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1022.557584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.557584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.557584 (E_RNA) where: Base-Base interactions energy: -683.660 where: short stacking energy: -315.143 Base-Backbone interact. energy: -0.368 local terms energy: -338.529918 where: bonds (distance) C4'-P energy: -61.609 bonds (distance) P-C4' energy: -57.030 flat angles C4'-P-C4' energy: -80.337 flat angles P-C4'-P energy: -51.741 tors. eta vs tors. theta energy: -87.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1021.321001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.321001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.321001 (E_RNA) where: Base-Base interactions energy: -671.441 where: short stacking energy: -299.641 Base-Backbone interact. energy: -0.636 local terms energy: -349.243720 where: bonds (distance) C4'-P energy: -58.833 bonds (distance) P-C4' energy: -74.259 flat angles C4'-P-C4' energy: -75.827 flat angles P-C4'-P energy: -49.521 tors. eta vs tors. theta energy: -90.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -892.058144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.058144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.058144 (E_RNA) where: Base-Base interactions energy: -565.409 where: short stacking energy: -251.130 Base-Backbone interact. energy: -0.056 local terms energy: -326.593194 where: bonds (distance) C4'-P energy: -71.561 bonds (distance) P-C4' energy: -60.269 flat angles C4'-P-C4' energy: -69.756 flat angles P-C4'-P energy: -53.966 tors. eta vs tors. theta energy: -71.041 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: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -831.886327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.886327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.886327 (E_RNA) where: Base-Base interactions energy: -525.093 where: short stacking energy: -254.417 Base-Backbone interact. energy: -0.883 local terms energy: -305.910367 where: bonds (distance) C4'-P energy: -67.959 bonds (distance) P-C4' energy: -64.839 flat angles C4'-P-C4' energy: -62.216 flat angles P-C4'-P energy: -43.032 tors. eta vs tors. theta energy: -67.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -583.403587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.403587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.403587 (E_RNA) where: Base-Base interactions energy: -340.189 where: short stacking energy: -180.072 Base-Backbone interact. energy: 4.512 local terms energy: -247.726859 where: bonds (distance) C4'-P energy: -70.287 bonds (distance) P-C4' energy: -64.505 flat angles C4'-P-C4' energy: -65.099 flat angles P-C4'-P energy: -21.596 tors. eta vs tors. theta energy: -26.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -523.811483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.811483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.811483 (E_RNA) where: Base-Base interactions energy: -291.700 where: short stacking energy: -168.392 Base-Backbone interact. energy: -1.304 local terms energy: -230.807776 where: bonds (distance) C4'-P energy: -47.195 bonds (distance) P-C4' energy: -63.482 flat angles C4'-P-C4' energy: -57.953 flat angles P-C4'-P energy: -36.069 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: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -370.354407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.354407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.354407 (E_RNA) where: Base-Base interactions energy: -187.108 where: short stacking energy: -126.920 Base-Backbone interact. energy: 0.408 local terms energy: -183.653735 where: bonds (distance) C4'-P energy: -47.854 bonds (distance) P-C4' energy: -61.588 flat angles C4'-P-C4' energy: -49.950 flat angles P-C4'-P energy: -19.457 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -284.841145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.841145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.841145 (E_RNA) where: Base-Base interactions energy: -93.575 where: short stacking energy: -88.852 Base-Backbone interact. energy: -0.655 local terms energy: -190.611656 where: bonds (distance) C4'-P energy: -50.064 bonds (distance) P-C4' energy: -64.595 flat angles C4'-P-C4' energy: -49.575 flat angles P-C4'-P energy: -31.551 tors. eta vs tors. theta energy: 5.173 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: 1, replica: 1 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1203.402064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.402064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.402064 (E_RNA) where: Base-Base interactions energy: -807.004 where: short stacking energy: -385.605 Base-Backbone interact. energy: -0.143 local terms energy: -396.255000 where: bonds (distance) C4'-P energy: -74.566 bonds (distance) P-C4' energy: -65.779 flat angles C4'-P-C4' energy: -81.641 flat angles P-C4'-P energy: -62.870 tors. eta vs tors. theta energy: -111.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1123.373560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.373560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.373560 (E_RNA) where: Base-Base interactions energy: -755.019 where: short stacking energy: -346.969 Base-Backbone interact. energy: 0.388 local terms energy: -368.742641 where: bonds (distance) C4'-P energy: -63.833 bonds (distance) P-C4' energy: -73.440 flat angles C4'-P-C4' energy: -74.949 flat angles P-C4'-P energy: -53.041 tors. eta vs tors. theta energy: -103.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1044.972810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.972810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.972810 (E_RNA) where: Base-Base interactions energy: -696.121 where: short stacking energy: -314.357 Base-Backbone interact. energy: -0.758 local terms energy: -348.094043 where: bonds (distance) C4'-P energy: -61.466 bonds (distance) P-C4' energy: -70.483 flat angles C4'-P-C4' energy: -75.325 flat angles P-C4'-P energy: -49.420 tors. eta vs tors. theta energy: -91.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1017.401499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.401499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.401499 (E_RNA) where: Base-Base interactions energy: -676.241 where: short stacking energy: -324.142 Base-Backbone interact. energy: 2.787 local terms energy: -343.947533 where: bonds (distance) C4'-P energy: -71.712 bonds (distance) P-C4' energy: -67.024 flat angles C4'-P-C4' energy: -79.516 flat angles P-C4'-P energy: -32.295 tors. eta vs tors. theta energy: -93.401 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: 5, replica: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -963.772733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.772733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.772733 (E_RNA) where: Base-Base interactions energy: -647.783 where: short stacking energy: -293.137 Base-Backbone interact. energy: 2.463 local terms energy: -318.452831 where: bonds (distance) C4'-P energy: -62.097 bonds (distance) P-C4' energy: -62.384 flat angles C4'-P-C4' energy: -73.641 flat angles P-C4'-P energy: -28.814 tors. eta vs tors. theta energy: -91.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -842.146755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.146755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.146755 (E_RNA) where: Base-Base interactions energy: -552.374 where: short stacking energy: -276.092 Base-Backbone interact. energy: -0.825 local terms energy: -288.947675 where: bonds (distance) C4'-P energy: -55.874 bonds (distance) P-C4' energy: -60.724 flat angles C4'-P-C4' energy: -67.495 flat angles P-C4'-P energy: -38.660 tors. eta vs tors. theta energy: -66.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -628.629675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.629675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.629675 (E_RNA) where: Base-Base interactions energy: -375.164 where: short stacking energy: -191.304 Base-Backbone interact. energy: 0.393 local terms energy: -253.857860 where: bonds (distance) C4'-P energy: -57.940 bonds (distance) P-C4' energy: -56.875 flat angles C4'-P-C4' energy: -59.812 flat angles P-C4'-P energy: -36.285 tors. eta vs tors. theta energy: -42.945 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: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -537.676650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.676650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.676650 (E_RNA) where: Base-Base interactions energy: -307.915 where: short stacking energy: -150.103 Base-Backbone interact. energy: 1.609 local terms energy: -231.371026 where: bonds (distance) C4'-P energy: -60.876 bonds (distance) P-C4' energy: -57.748 flat angles C4'-P-C4' energy: -58.719 flat angles P-C4'-P energy: -36.171 tors. eta vs tors. theta energy: -17.858 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: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -391.589596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.589596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.589596 (E_RNA) where: Base-Base interactions energy: -196.067 where: short stacking energy: -143.375 Base-Backbone interact. energy: -2.622 local terms energy: -192.900204 where: bonds (distance) C4'-P energy: -47.471 bonds (distance) P-C4' energy: -55.051 flat angles C4'-P-C4' energy: -49.753 flat angles P-C4'-P energy: -26.932 tors. eta vs tors. theta energy: -13.693 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: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -287.214450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.214450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.214450 (E_RNA) where: Base-Base interactions energy: -119.738 where: short stacking energy: -108.015 Base-Backbone interact. energy: -0.787 local terms energy: -166.689946 where: bonds (distance) C4'-P energy: -43.594 bonds (distance) P-C4' energy: -46.190 flat angles C4'-P-C4' energy: -45.402 flat angles P-C4'-P energy: -42.307 tors. eta vs tors. theta energy: 10.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1136.252302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.252302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.252302 (E_RNA) where: Base-Base interactions energy: -768.358 where: short stacking energy: -353.022 Base-Backbone interact. energy: -2.201 local terms energy: -365.693241 where: bonds (distance) C4'-P energy: -63.067 bonds (distance) P-C4' energy: -75.883 flat angles C4'-P-C4' energy: -73.021 flat angles P-C4'-P energy: -54.603 tors. eta vs tors. theta energy: -99.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1152.332497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.332497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.332497 (E_RNA) where: Base-Base interactions energy: -767.171 where: short stacking energy: -365.803 Base-Backbone interact. energy: 0.649 local terms energy: -385.810224 where: bonds (distance) C4'-P energy: -64.830 bonds (distance) P-C4' energy: -74.247 flat angles C4'-P-C4' energy: -80.288 flat angles P-C4'-P energy: -57.482 tors. eta vs tors. theta energy: -108.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1064.534328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.534328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.534328 (E_RNA) where: Base-Base interactions energy: -726.710 where: short stacking energy: -334.139 Base-Backbone interact. energy: -0.955 local terms energy: -336.869283 where: bonds (distance) C4'-P energy: -51.814 bonds (distance) P-C4' energy: -73.409 flat angles C4'-P-C4' energy: -69.771 flat angles P-C4'-P energy: -45.476 tors. eta vs tors. theta energy: -96.399 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: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1005.849451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.849451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.849451 (E_RNA) where: Base-Base interactions energy: -660.945 where: short stacking energy: -317.599 Base-Backbone interact. energy: 0.448 local terms energy: -345.352802 where: bonds (distance) C4'-P energy: -63.449 bonds (distance) P-C4' energy: -62.287 flat angles C4'-P-C4' energy: -75.113 flat angles P-C4'-P energy: -48.809 tors. eta vs tors. theta energy: -95.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -983.585724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.585724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.585724 (E_RNA) where: Base-Base interactions energy: -656.099 where: short stacking energy: -306.301 Base-Backbone interact. energy: -0.610 local terms energy: -326.877497 where: bonds (distance) C4'-P energy: -64.001 bonds (distance) P-C4' energy: -64.342 flat angles C4'-P-C4' energy: -69.824 flat angles P-C4'-P energy: -44.165 tors. eta vs tors. theta energy: -84.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -868.439105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.439105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.439105 (E_RNA) where: Base-Base interactions energy: -551.256 where: short stacking energy: -254.113 Base-Backbone interact. energy: -1.999 local terms energy: -315.184138 where: bonds (distance) C4'-P energy: -63.244 bonds (distance) P-C4' energy: -63.870 flat angles C4'-P-C4' energy: -72.865 flat angles P-C4'-P energy: -50.263 tors. eta vs tors. theta energy: -64.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -680.988971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.988971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.988971 (E_RNA) where: Base-Base interactions energy: -414.928 where: short stacking energy: -222.409 Base-Backbone interact. energy: -1.184 local terms energy: -264.877140 where: bonds (distance) C4'-P energy: -49.554 bonds (distance) P-C4' energy: -55.631 flat angles C4'-P-C4' energy: -66.427 flat angles P-C4'-P energy: -37.542 tors. eta vs tors. theta energy: -55.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -531.040114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.040114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.040114 (E_RNA) where: Base-Base interactions energy: -292.360 where: short stacking energy: -154.507 Base-Backbone interact. energy: -1.115 local terms energy: -237.564917 where: bonds (distance) C4'-P energy: -49.721 bonds (distance) P-C4' energy: -49.251 flat angles C4'-P-C4' energy: -66.621 flat angles P-C4'-P energy: -43.519 tors. eta vs tors. theta energy: -28.452 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: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -379.779392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.779392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.779392 (E_RNA) where: Base-Base interactions energy: -190.486 where: short stacking energy: -114.682 Base-Backbone interact. energy: -1.361 local terms energy: -187.932148 where: bonds (distance) C4'-P energy: -49.604 bonds (distance) P-C4' energy: -44.607 flat angles C4'-P-C4' energy: -51.792 flat angles P-C4'-P energy: -41.198 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -295.634056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.634056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.634056 (E_RNA) where: Base-Base interactions energy: -127.924 where: short stacking energy: -78.459 Base-Backbone interact. energy: 1.717 local terms energy: -169.427432 where: bonds (distance) C4'-P energy: -47.274 bonds (distance) P-C4' energy: -62.700 flat angles C4'-P-C4' energy: -41.882 flat angles P-C4'-P energy: -33.303 tors. eta vs tors. theta energy: 15.732 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: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1156.559894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.559894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.559894 (E_RNA) where: Base-Base interactions energy: -790.144 where: short stacking energy: -368.173 Base-Backbone interact. energy: -1.503 local terms energy: -364.912320 where: bonds (distance) C4'-P energy: -63.619 bonds (distance) P-C4' energy: -77.716 flat angles C4'-P-C4' energy: -77.936 flat angles P-C4'-P energy: -44.790 tors. eta vs tors. theta energy: -100.851 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: 3 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1075.865064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.865064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.865064 (E_RNA) where: Base-Base interactions energy: -721.749 where: short stacking energy: -339.021 Base-Backbone interact. energy: -0.207 local terms energy: -353.908620 where: bonds (distance) C4'-P energy: -62.500 bonds (distance) P-C4' energy: -71.385 flat angles C4'-P-C4' energy: -69.415 flat angles P-C4'-P energy: -53.296 tors. eta vs tors. theta energy: -97.313 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: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1105.115566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.115566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.115566 (E_RNA) where: Base-Base interactions energy: -745.490 where: short stacking energy: -347.950 Base-Backbone interact. energy: -0.817 local terms energy: -358.808938 where: bonds (distance) C4'-P energy: -65.062 bonds (distance) P-C4' energy: -69.853 flat angles C4'-P-C4' energy: -79.201 flat angles P-C4'-P energy: -51.626 tors. eta vs tors. theta energy: -93.067 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: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1009.161114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.161114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.161114 (E_RNA) where: Base-Base interactions energy: -679.345 where: short stacking energy: -322.997 Base-Backbone interact. energy: 0.040 local terms energy: -329.856536 where: bonds (distance) C4'-P energy: -50.304 bonds (distance) P-C4' energy: -62.554 flat angles C4'-P-C4' energy: -75.454 flat angles P-C4'-P energy: -52.207 tors. eta vs tors. theta energy: -89.337 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: 369 Temperature: 1.100000 Total energy: -970.962415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.962415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.962415 (E_RNA) where: Base-Base interactions energy: -658.406 where: short stacking energy: -300.897 Base-Backbone interact. energy: 0.925 local terms energy: -313.481589 where: bonds (distance) C4'-P energy: -49.076 bonds (distance) P-C4' energy: -68.892 flat angles C4'-P-C4' energy: -66.779 flat angles P-C4'-P energy: -42.287 tors. eta vs tors. theta energy: -86.448 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: 9 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -874.987546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.987546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.987546 (E_RNA) where: Base-Base interactions energy: -572.038 where: short stacking energy: -266.472 Base-Backbone interact. energy: -0.686 local terms energy: -302.263592 where: bonds (distance) C4'-P energy: -55.170 bonds (distance) P-C4' energy: -62.920 flat angles C4'-P-C4' energy: -72.474 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: -68.240 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: 369 Temperature: 1.200000 Total energy: -687.277697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.277697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.277697 (E_RNA) where: Base-Base interactions energy: -413.989 where: short stacking energy: -229.152 Base-Backbone interact. energy: -1.567 local terms energy: -271.722642 where: bonds (distance) C4'-P energy: -58.909 bonds (distance) P-C4' energy: -62.705 flat angles C4'-P-C4' energy: -58.495 flat angles P-C4'-P energy: -37.086 tors. eta vs tors. theta energy: -54.529 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: 2 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -417.847541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.847541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.847541 (E_RNA) where: Base-Base interactions energy: -207.448 where: short stacking energy: -119.283 Base-Backbone interact. energy: -0.161 local terms energy: -210.238902 where: bonds (distance) C4'-P energy: -46.929 bonds (distance) P-C4' energy: -63.377 flat angles C4'-P-C4' energy: -58.520 flat angles P-C4'-P energy: -31.100 tors. eta vs tors. theta energy: -10.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -450.455205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.455205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.455205 (E_RNA) where: Base-Base interactions energy: -232.317 where: short stacking energy: -121.591 Base-Backbone interact. energy: -1.318 local terms energy: -216.820431 where: bonds (distance) C4'-P energy: -63.220 bonds (distance) P-C4' energy: -56.050 flat angles C4'-P-C4' energy: -57.153 flat angles P-C4'-P energy: -21.855 tors. eta vs tors. theta energy: -18.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -308.901962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.901962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.901962 (E_RNA) where: Base-Base interactions energy: -108.880 where: short stacking energy: -78.062 Base-Backbone interact. energy: 1.062 local terms energy: -201.083692 where: bonds (distance) C4'-P energy: -67.536 bonds (distance) P-C4' energy: -61.415 flat angles C4'-P-C4' energy: -48.912 flat angles P-C4'-P energy: -30.106 tors. eta vs tors. theta energy: 6.886 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: 1, replica: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1159.798639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.798639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.798639 (E_RNA) where: Base-Base interactions energy: -779.236 where: short stacking energy: -363.045 Base-Backbone interact. energy: -1.924 local terms energy: -378.638381 where: bonds (distance) C4'-P energy: -73.808 bonds (distance) P-C4' energy: -70.922 flat angles C4'-P-C4' energy: -77.031 flat angles P-C4'-P energy: -50.697 tors. eta vs tors. theta energy: -106.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1059.195832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.195832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.195832 (E_RNA) where: Base-Base interactions energy: -699.605 where: short stacking energy: -325.807 Base-Backbone interact. energy: 0.118 local terms energy: -359.708451 where: bonds (distance) C4'-P energy: -73.112 bonds (distance) P-C4' energy: -69.485 flat angles C4'-P-C4' energy: -76.578 flat angles P-C4'-P energy: -47.375 tors. eta vs tors. theta energy: -93.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1108.992234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.992234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.992234 (E_RNA) where: Base-Base interactions energy: -737.822 where: short stacking energy: -339.991 Base-Backbone interact. energy: -0.191 local terms energy: -370.979850 where: bonds (distance) C4'-P energy: -63.322 bonds (distance) P-C4' energy: -69.568 flat angles C4'-P-C4' energy: -85.515 flat angles P-C4'-P energy: -49.012 tors. eta vs tors. theta energy: -103.563 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: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1010.927450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.927450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.927450 (E_RNA) where: Base-Base interactions energy: -666.542 where: short stacking energy: -312.569 Base-Backbone interact. energy: -0.137 local terms energy: -344.249254 where: bonds (distance) C4'-P energy: -62.374 bonds (distance) P-C4' energy: -70.771 flat angles C4'-P-C4' energy: -73.268 flat angles P-C4'-P energy: -43.301 tors. eta vs tors. theta energy: -94.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -986.800227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.800227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.800227 (E_RNA) where: Base-Base interactions energy: -655.397 where: short stacking energy: -311.793 Base-Backbone interact. energy: -0.537 local terms energy: -330.865816 where: bonds (distance) C4'-P energy: -69.916 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -68.205 flat angles P-C4'-P energy: -44.781 tors. eta vs tors. theta energy: -85.285 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: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -876.266656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.266656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.266656 (E_RNA) where: Base-Base interactions energy: -588.192 where: short stacking energy: -253.143 Base-Backbone interact. energy: 1.482 local terms energy: -289.556813 where: bonds (distance) C4'-P energy: -69.133 bonds (distance) P-C4' energy: -67.054 flat angles C4'-P-C4' energy: -48.254 flat angles P-C4'-P energy: -39.377 tors. eta vs tors. theta energy: -65.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -681.863196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.863196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.863196 (E_RNA) where: Base-Base interactions energy: -404.068 where: short stacking energy: -200.341 Base-Backbone interact. energy: 1.071 local terms energy: -278.866499 where: bonds (distance) C4'-P energy: -66.958 bonds (distance) P-C4' energy: -66.569 flat angles C4'-P-C4' energy: -55.246 flat angles P-C4'-P energy: -42.347 tors. eta vs tors. theta energy: -47.747 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: 8, replica: 2 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -440.919164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.919164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.919164 (E_RNA) where: Base-Base interactions energy: -207.972 where: short stacking energy: -138.813 Base-Backbone interact. energy: -2.109 local terms energy: -230.837701 where: bonds (distance) C4'-P energy: -62.105 bonds (distance) P-C4' energy: -61.241 flat angles C4'-P-C4' energy: -64.577 flat angles P-C4'-P energy: -28.624 tors. eta vs tors. theta energy: -14.290 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: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -381.336045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.336045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.336045 (E_RNA) where: Base-Base interactions energy: -150.931 where: short stacking energy: -101.971 Base-Backbone interact. energy: -0.561 local terms energy: -229.843616 where: bonds (distance) C4'-P energy: -72.294 bonds (distance) P-C4' energy: -57.398 flat angles C4'-P-C4' energy: -56.461 flat angles P-C4'-P energy: -39.477 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -298.383623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.383623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.383623 (E_RNA) where: Base-Base interactions energy: -100.246 where: short stacking energy: -88.922 Base-Backbone interact. energy: -1.508 local terms energy: -196.629528 where: bonds (distance) C4'-P energy: -57.570 bonds (distance) P-C4' energy: -64.471 flat angles C4'-P-C4' energy: -39.316 flat angles P-C4'-P energy: -40.486 tors. eta vs tors. theta energy: 5.214 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: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1177.092078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.092078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.092078 (E_RNA) where: Base-Base interactions energy: -804.720 where: short stacking energy: -372.053 Base-Backbone interact. energy: -2.174 local terms energy: -370.198438 where: bonds (distance) C4'-P energy: -62.081 bonds (distance) P-C4' energy: -69.651 flat angles C4'-P-C4' energy: -81.847 flat angles P-C4'-P energy: -51.291 tors. eta vs tors. theta energy: -105.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1146.472079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.472079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.472079 (E_RNA) where: Base-Base interactions energy: -758.227 where: short stacking energy: -374.199 Base-Backbone interact. energy: -1.691 local terms energy: -386.554449 where: bonds (distance) C4'-P energy: -66.321 bonds (distance) P-C4' energy: -74.758 flat angles C4'-P-C4' energy: -83.827 flat angles P-C4'-P energy: -56.064 tors. eta vs tors. theta energy: -105.585 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: 371 Temperature: 1.000000 Total energy: -1029.447301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.447301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.447301 (E_RNA) where: Base-Base interactions energy: -681.352 where: short stacking energy: -321.680 Base-Backbone interact. energy: -0.728 local terms energy: -347.366930 where: bonds (distance) C4'-P energy: -68.951 bonds (distance) P-C4' energy: -69.862 flat angles C4'-P-C4' energy: -73.071 flat angles P-C4'-P energy: -44.842 tors. eta vs tors. theta energy: -90.641 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: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1025.395394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.395394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.395394 (E_RNA) where: Base-Base interactions energy: -689.479 where: short stacking energy: -319.555 Base-Backbone interact. energy: -0.395 local terms energy: -335.521728 where: bonds (distance) C4'-P energy: -59.556 bonds (distance) P-C4' energy: -72.581 flat angles C4'-P-C4' energy: -66.266 flat angles P-C4'-P energy: -41.534 tors. eta vs tors. theta energy: -95.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -977.008522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.008522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.008522 (E_RNA) where: Base-Base interactions energy: -649.539 where: short stacking energy: -298.768 Base-Backbone interact. energy: -0.051 local terms energy: -327.418640 where: bonds (distance) C4'-P energy: -69.350 bonds (distance) P-C4' energy: -55.644 flat angles C4'-P-C4' energy: -65.607 flat angles P-C4'-P energy: -48.606 tors. eta vs tors. theta energy: -88.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -916.023808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.023808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.023808 (E_RNA) where: Base-Base interactions energy: -611.325 where: short stacking energy: -288.273 Base-Backbone interact. energy: 0.065 local terms energy: -304.764116 where: bonds (distance) C4'-P energy: -50.722 bonds (distance) P-C4' energy: -64.061 flat angles C4'-P-C4' energy: -66.148 flat angles P-C4'-P energy: -40.950 tors. eta vs tors. theta energy: -82.884 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: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -695.756590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.756590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.756590 (E_RNA) where: Base-Base interactions energy: -424.526 where: short stacking energy: -203.262 Base-Backbone interact. energy: -2.000 local terms energy: -269.230885 where: bonds (distance) C4'-P energy: -50.818 bonds (distance) P-C4' energy: -65.556 flat angles C4'-P-C4' energy: -55.871 flat angles P-C4'-P energy: -47.903 tors. eta vs tors. theta energy: -49.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -419.769460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.769460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.769460 (E_RNA) where: Base-Base interactions energy: -197.481 where: short stacking energy: -113.423 Base-Backbone interact. energy: -0.026 local terms energy: -222.263026 where: bonds (distance) C4'-P energy: -61.129 bonds (distance) P-C4' energy: -75.216 flat angles C4'-P-C4' energy: -55.412 flat angles P-C4'-P energy: -29.794 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -380.515436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.515436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.515436 (E_RNA) where: Base-Base interactions energy: -175.744 where: short stacking energy: -127.844 Base-Backbone interact. energy: -1.260 local terms energy: -203.511553 where: bonds (distance) C4'-P energy: -52.066 bonds (distance) P-C4' energy: -59.964 flat angles C4'-P-C4' energy: -56.283 flat angles P-C4'-P energy: -18.509 tors. eta vs tors. theta energy: -16.689 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: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -297.735221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.735221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.735221 (E_RNA) where: Base-Base interactions energy: -100.297 where: short stacking energy: -75.886 Base-Backbone interact. energy: 1.750 local terms energy: -199.188396 where: bonds (distance) C4'-P energy: -58.738 bonds (distance) P-C4' energy: -67.363 flat angles C4'-P-C4' energy: -48.348 flat angles P-C4'-P energy: -23.517 tors. eta vs tors. theta energy: -1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1177.947027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.947027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.947027 (E_RNA) where: Base-Base interactions energy: -801.581 where: short stacking energy: -364.552 Base-Backbone interact. energy: -2.446 local terms energy: -373.920051 where: bonds (distance) C4'-P energy: -71.222 bonds (distance) P-C4' energy: -71.137 flat angles C4'-P-C4' energy: -70.705 flat angles P-C4'-P energy: -54.701 tors. eta vs tors. theta energy: -106.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1141.810146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.810146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.810146 (E_RNA) where: Base-Base interactions energy: -746.906 where: short stacking energy: -359.437 Base-Backbone interact. energy: -0.673 local terms energy: -394.231724 where: bonds (distance) C4'-P energy: -70.000 bonds (distance) P-C4' energy: -72.284 flat angles C4'-P-C4' energy: -87.957 flat angles P-C4'-P energy: -56.014 tors. eta vs tors. theta energy: -107.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1008.285789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.285789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.285789 (E_RNA) where: Base-Base interactions energy: -640.456 where: short stacking energy: -312.672 Base-Backbone interact. energy: -0.687 local terms energy: -367.142768 where: bonds (distance) C4'-P energy: -60.770 bonds (distance) P-C4' energy: -67.324 flat angles C4'-P-C4' energy: -81.766 flat angles P-C4'-P energy: -55.747 tors. eta vs tors. theta energy: -101.536 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: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1018.890967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.890967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.890967 (E_RNA) where: Base-Base interactions energy: -681.740 where: short stacking energy: -314.849 Base-Backbone interact. energy: 0.111 local terms energy: -337.261177 where: bonds (distance) C4'-P energy: -64.573 bonds (distance) P-C4' energy: -64.081 flat angles C4'-P-C4' energy: -68.072 flat angles P-C4'-P energy: -46.240 tors. eta vs tors. theta energy: -94.295 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: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -967.320927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.320927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.320927 (E_RNA) where: Base-Base interactions energy: -640.299 where: short stacking energy: -296.702 Base-Backbone interact. energy: -0.237 local terms energy: -326.785700 where: bonds (distance) C4'-P energy: -53.311 bonds (distance) P-C4' energy: -67.168 flat angles C4'-P-C4' energy: -76.396 flat angles P-C4'-P energy: -45.514 tors. eta vs tors. theta energy: -84.398 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: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -941.440053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.440053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.440053 (E_RNA) where: Base-Base interactions energy: -644.547 where: short stacking energy: -288.869 Base-Backbone interact. energy: -2.178 local terms energy: -294.715180 where: bonds (distance) C4'-P energy: -61.235 bonds (distance) P-C4' energy: -58.456 flat angles C4'-P-C4' energy: -64.433 flat angles P-C4'-P energy: -31.364 tors. eta vs tors. theta energy: -79.228 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: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -686.450067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.450067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.450067 (E_RNA) where: Base-Base interactions energy: -414.837 where: short stacking energy: -222.198 Base-Backbone interact. energy: -1.382 local terms energy: -270.231719 where: bonds (distance) C4'-P energy: -61.198 bonds (distance) P-C4' energy: -57.666 flat angles C4'-P-C4' energy: -60.953 flat angles P-C4'-P energy: -37.373 tors. eta vs tors. theta energy: -53.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -497.337427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.337427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.337427 (E_RNA) where: Base-Base interactions energy: -261.372 where: short stacking energy: -162.744 Base-Backbone interact. energy: -1.856 local terms energy: -234.110087 where: bonds (distance) C4'-P energy: -47.725 bonds (distance) P-C4' energy: -62.706 flat angles C4'-P-C4' energy: -67.301 flat angles P-C4'-P energy: -29.621 tors. eta vs tors. theta energy: -26.757 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: 10 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -324.557589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.557589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.557589 (E_RNA) where: Base-Base interactions energy: -126.041 where: short stacking energy: -94.514 Base-Backbone interact. energy: -0.810 local terms energy: -197.706310 where: bonds (distance) C4'-P energy: -54.656 bonds (distance) P-C4' energy: -56.375 flat angles C4'-P-C4' energy: -60.251 flat angles P-C4'-P energy: -30.562 tors. eta vs tors. theta energy: 4.137 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: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -320.104915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.104915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.104915 (E_RNA) where: Base-Base interactions energy: -131.289 where: short stacking energy: -99.842 Base-Backbone interact. energy: 0.227 local terms energy: -189.042713 where: bonds (distance) C4'-P energy: -55.128 bonds (distance) P-C4' energy: -55.790 flat angles C4'-P-C4' energy: -54.709 flat angles P-C4'-P energy: -29.109 tors. eta vs tors. theta energy: 5.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1169.906597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.906597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.906597 (E_RNA) where: Base-Base interactions energy: -796.953 where: short stacking energy: -364.409 Base-Backbone interact. energy: -1.604 local terms energy: -371.348988 where: bonds (distance) C4'-P energy: -70.419 bonds (distance) P-C4' energy: -67.814 flat angles C4'-P-C4' energy: -80.561 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: -102.233 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: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1143.515255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.515255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.515255 (E_RNA) where: Base-Base interactions energy: -784.184 where: short stacking energy: -355.669 Base-Backbone interact. energy: -0.219 local terms energy: -359.112203 where: bonds (distance) C4'-P energy: -57.373 bonds (distance) P-C4' energy: -68.740 flat angles C4'-P-C4' energy: -75.085 flat angles P-C4'-P energy: -54.577 tors. eta vs tors. theta energy: -103.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1017.701021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.701021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.701021 (E_RNA) where: Base-Base interactions energy: -671.197 where: short stacking energy: -317.519 Base-Backbone interact. energy: -1.941 local terms energy: -344.563089 where: bonds (distance) C4'-P energy: -70.225 bonds (distance) P-C4' energy: -60.597 flat angles C4'-P-C4' energy: -71.751 flat angles P-C4'-P energy: -52.884 tors. eta vs tors. theta energy: -89.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -990.010208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.010208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.010208 (E_RNA) where: Base-Base interactions energy: -641.860 where: short stacking energy: -289.564 Base-Backbone interact. energy: -1.052 local terms energy: -347.097693 where: bonds (distance) C4'-P energy: -65.122 bonds (distance) P-C4' energy: -68.115 flat angles C4'-P-C4' energy: -71.143 flat angles P-C4'-P energy: -55.504 tors. eta vs tors. theta energy: -87.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -941.722351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.722351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.722351 (E_RNA) where: Base-Base interactions energy: -625.152 where: short stacking energy: -302.728 Base-Backbone interact. energy: -0.292 local terms energy: -316.279172 where: bonds (distance) C4'-P energy: -66.991 bonds (distance) P-C4' energy: -59.122 flat angles C4'-P-C4' energy: -61.636 flat angles P-C4'-P energy: -44.633 tors. eta vs tors. theta energy: -83.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -926.432099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.432099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.432099 (E_RNA) where: Base-Base interactions energy: -607.413 where: short stacking energy: -285.964 Base-Backbone interact. energy: 0.795 local terms energy: -319.814564 where: bonds (distance) C4'-P energy: -60.280 bonds (distance) P-C4' energy: -55.223 flat angles C4'-P-C4' energy: -69.120 flat angles P-C4'-P energy: -55.023 tors. eta vs tors. theta energy: -80.168 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: 373 Temperature: 1.200000 Total energy: -683.870515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.870515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.870515 (E_RNA) where: Base-Base interactions energy: -401.649 where: short stacking energy: -200.742 Base-Backbone interact. energy: -0.409 local terms energy: -281.812676 where: bonds (distance) C4'-P energy: -64.511 bonds (distance) P-C4' energy: -67.037 flat angles C4'-P-C4' energy: -69.808 flat angles P-C4'-P energy: -36.204 tors. eta vs tors. theta energy: -44.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -466.365495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.365495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.365495 (E_RNA) where: Base-Base interactions energy: -232.891 where: short stacking energy: -122.314 Base-Backbone interact. energy: 0.002 local terms energy: -233.476306 where: bonds (distance) C4'-P energy: -63.872 bonds (distance) P-C4' energy: -62.727 flat angles C4'-P-C4' energy: -62.021 flat angles P-C4'-P energy: -31.308 tors. eta vs tors. theta energy: -13.548 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: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -344.401735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.401735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.401735 (E_RNA) where: Base-Base interactions energy: -140.863 where: short stacking energy: -109.881 Base-Backbone interact. energy: -0.736 local terms energy: -202.802919 where: bonds (distance) C4'-P energy: -62.999 bonds (distance) P-C4' energy: -54.347 flat angles C4'-P-C4' energy: -59.589 flat angles P-C4'-P energy: -31.187 tors. eta vs tors. theta energy: 5.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -268.965930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.965930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.965930 (E_RNA) where: Base-Base interactions energy: -108.270 where: short stacking energy: -89.080 Base-Backbone interact. energy: 3.399 local terms energy: -164.094344 where: bonds (distance) C4'-P energy: -39.147 bonds (distance) P-C4' energy: -60.950 flat angles C4'-P-C4' energy: -49.329 flat angles P-C4'-P energy: -25.766 tors. eta vs tors. theta energy: 11.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1179.401000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.401000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.401000 (E_RNA) where: Base-Base interactions energy: -807.929 where: short stacking energy: -381.802 Base-Backbone interact. energy: 0.813 local terms energy: -372.284941 where: bonds (distance) C4'-P energy: -65.548 bonds (distance) P-C4' energy: -66.313 flat angles C4'-P-C4' energy: -81.048 flat angles P-C4'-P energy: -55.211 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: 2, replica: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1159.909135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.909135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.909135 (E_RNA) where: Base-Base interactions energy: -800.449 where: short stacking energy: -362.479 Base-Backbone interact. energy: 1.551 local terms energy: -361.010506 where: bonds (distance) C4'-P energy: -59.716 bonds (distance) P-C4' energy: -69.811 flat angles C4'-P-C4' energy: -74.502 flat angles P-C4'-P energy: -50.164 tors. eta vs tors. theta energy: -106.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1048.660619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.660619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.660619 (E_RNA) where: Base-Base interactions energy: -684.838 where: short stacking energy: -315.039 Base-Backbone interact. energy: -0.575 local terms energy: -363.247822 where: bonds (distance) C4'-P energy: -71.247 bonds (distance) P-C4' energy: -69.152 flat angles C4'-P-C4' energy: -73.883 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -103.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1005.615625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.615625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.615625 (E_RNA) where: Base-Base interactions energy: -669.384 where: short stacking energy: -316.521 Base-Backbone interact. energy: -0.552 local terms energy: -335.679223 where: bonds (distance) C4'-P energy: -53.279 bonds (distance) P-C4' energy: -65.623 flat angles C4'-P-C4' energy: -72.685 flat angles P-C4'-P energy: -53.676 tors. eta vs tors. theta energy: -90.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -958.640948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.640948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.640948 (E_RNA) where: Base-Base interactions energy: -631.559 where: short stacking energy: -298.774 Base-Backbone interact. energy: -0.256 local terms energy: -326.826580 where: bonds (distance) C4'-P energy: -63.067 bonds (distance) P-C4' energy: -59.594 flat angles C4'-P-C4' energy: -71.418 flat angles P-C4'-P energy: -44.051 tors. eta vs tors. theta energy: -88.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -905.805881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.805881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.805881 (E_RNA) where: Base-Base interactions energy: -589.206 where: short stacking energy: -286.771 Base-Backbone interact. energy: -1.085 local terms energy: -315.515042 where: bonds (distance) C4'-P energy: -61.786 bonds (distance) P-C4' energy: -64.016 flat angles C4'-P-C4' energy: -62.055 flat angles P-C4'-P energy: -46.828 tors. eta vs tors. theta energy: -80.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -701.036667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.036667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.036667 (E_RNA) where: Base-Base interactions energy: -421.737 where: short stacking energy: -233.157 Base-Backbone interact. energy: -0.715 local terms energy: -278.585342 where: bonds (distance) C4'-P energy: -61.252 bonds (distance) P-C4' energy: -70.034 flat angles C4'-P-C4' energy: -59.097 flat angles P-C4'-P energy: -34.358 tors. eta vs tors. theta energy: -53.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -496.075553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.075553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.075553 (E_RNA) where: Base-Base interactions energy: -294.722 where: short stacking energy: -144.542 Base-Backbone interact. energy: 0.987 local terms energy: -202.341110 where: bonds (distance) C4'-P energy: -52.620 bonds (distance) P-C4' energy: -58.390 flat angles C4'-P-C4' energy: -58.446 flat angles P-C4'-P energy: -27.100 tors. eta vs tors. theta energy: -5.785 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: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -312.925076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.925076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.925076 (E_RNA) where: Base-Base interactions energy: -127.690 where: short stacking energy: -101.130 Base-Backbone interact. energy: 0.134 local terms energy: -185.368857 where: bonds (distance) C4'-P energy: -48.428 bonds (distance) P-C4' energy: -57.729 flat angles C4'-P-C4' energy: -52.665 flat angles P-C4'-P energy: -23.427 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -332.633212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.633212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.633212 (E_RNA) where: Base-Base interactions energy: -158.933 where: short stacking energy: -102.851 Base-Backbone interact. energy: -1.175 local terms energy: -172.524871 where: bonds (distance) C4'-P energy: -43.397 bonds (distance) P-C4' energy: -57.341 flat angles C4'-P-C4' energy: -44.810 flat angles P-C4'-P energy: -32.630 tors. eta vs tors. theta energy: 5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1171.908771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.908771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.908771 (E_RNA) where: Base-Base interactions energy: -787.510 where: short stacking energy: -373.115 Base-Backbone interact. energy: -1.584 local terms energy: -382.814762 where: bonds (distance) C4'-P energy: -72.706 bonds (distance) P-C4' energy: -68.956 flat angles C4'-P-C4' energy: -81.369 flat angles P-C4'-P energy: -53.783 tors. eta vs tors. theta energy: -106.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1187.233391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.233391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.233391 (E_RNA) where: Base-Base interactions energy: -814.282 where: short stacking energy: -382.986 Base-Backbone interact. energy: 3.996 local terms energy: -376.947776 where: bonds (distance) C4'-P energy: -63.056 bonds (distance) P-C4' energy: -73.006 flat angles C4'-P-C4' energy: -80.384 flat angles P-C4'-P energy: -57.572 tors. eta vs tors. theta energy: -102.929 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: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1031.825910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.825910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.825910 (E_RNA) where: Base-Base interactions energy: -682.236 where: short stacking energy: -313.703 Base-Backbone interact. energy: 1.381 local terms energy: -350.971655 where: bonds (distance) C4'-P energy: -62.187 bonds (distance) P-C4' energy: -59.910 flat angles C4'-P-C4' energy: -82.000 flat angles P-C4'-P energy: -52.878 tors. eta vs tors. theta energy: -93.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1014.606289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.606289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.606289 (E_RNA) where: Base-Base interactions energy: -672.348 where: short stacking energy: -310.682 Base-Backbone interact. energy: -0.432 local terms energy: -341.826261 where: bonds (distance) C4'-P energy: -68.737 bonds (distance) P-C4' energy: -78.057 flat angles C4'-P-C4' energy: -77.916 flat angles P-C4'-P energy: -29.203 tors. eta vs tors. theta energy: -87.913 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: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -975.207138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.207138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.207138 (E_RNA) where: Base-Base interactions energy: -630.444 where: short stacking energy: -305.845 Base-Backbone interact. energy: -0.491 local terms energy: -344.271689 where: bonds (distance) C4'-P energy: -66.347 bonds (distance) P-C4' energy: -70.536 flat angles C4'-P-C4' energy: -66.255 flat angles P-C4'-P energy: -47.877 tors. eta vs tors. theta energy: -93.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -912.644345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.644345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.644345 (E_RNA) where: Base-Base interactions energy: -590.158 where: short stacking energy: -284.590 Base-Backbone interact. energy: -1.592 local terms energy: -320.894826 where: bonds (distance) C4'-P energy: -56.031 bonds (distance) P-C4' energy: -71.308 flat angles C4'-P-C4' energy: -69.071 flat angles P-C4'-P energy: -46.896 tors. eta vs tors. theta energy: -77.588 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: 375 Temperature: 1.200000 Total energy: -700.392131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.392131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.392131 (E_RNA) where: Base-Base interactions energy: -422.901 where: short stacking energy: -225.226 Base-Backbone interact. energy: -0.649 local terms energy: -276.842131 where: bonds (distance) C4'-P energy: -53.400 bonds (distance) P-C4' energy: -70.900 flat angles C4'-P-C4' energy: -61.718 flat angles P-C4'-P energy: -44.391 tors. eta vs tors. theta energy: -46.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -524.749894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.749894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.749894 (E_RNA) where: Base-Base interactions energy: -287.560 where: short stacking energy: -135.545 Base-Backbone interact. energy: -2.469 local terms energy: -234.721552 where: bonds (distance) C4'-P energy: -66.507 bonds (distance) P-C4' energy: -57.867 flat angles C4'-P-C4' energy: -63.662 flat angles P-C4'-P energy: -37.009 tors. eta vs tors. theta energy: -9.676 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: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -314.655170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.655170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.655170 (E_RNA) where: Base-Base interactions energy: -130.144 where: short stacking energy: -92.482 Base-Backbone interact. energy: 5.359 local terms energy: -189.870369 where: bonds (distance) C4'-P energy: -56.921 bonds (distance) P-C4' energy: -61.920 flat angles C4'-P-C4' energy: -39.256 flat angles P-C4'-P energy: -30.834 tors. eta vs tors. theta energy: -0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -282.359756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.359756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.359756 (E_RNA) where: Base-Base interactions energy: -98.904 where: short stacking energy: -93.370 Base-Backbone interact. energy: -0.472 local terms energy: -182.983406 where: bonds (distance) C4'-P energy: -56.091 bonds (distance) P-C4' energy: -67.648 flat angles C4'-P-C4' energy: -46.467 flat angles P-C4'-P energy: -21.757 tors. eta vs tors. theta energy: 8.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1165.060845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.060845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.060845 (E_RNA) where: Base-Base interactions energy: -781.527 where: short stacking energy: -358.474 Base-Backbone interact. energy: -0.650 local terms energy: -382.884094 where: bonds (distance) C4'-P energy: -72.446 bonds (distance) P-C4' energy: -70.647 flat angles C4'-P-C4' energy: -82.565 flat angles P-C4'-P energy: -54.299 tors. eta vs tors. theta energy: -102.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1160.998383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.998383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.998383 (E_RNA) where: Base-Base interactions energy: -788.440 where: short stacking energy: -356.445 Base-Backbone interact. energy: -1.454 local terms energy: -371.104324 where: bonds (distance) C4'-P energy: -73.169 bonds (distance) P-C4' energy: -67.074 flat angles C4'-P-C4' energy: -71.552 flat angles P-C4'-P energy: -55.203 tors. eta vs tors. theta energy: -104.105 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: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1056.437116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.437116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.437116 (E_RNA) where: Base-Base interactions energy: -708.917 where: short stacking energy: -334.795 Base-Backbone interact. energy: -1.442 local terms energy: -346.078468 where: bonds (distance) C4'-P energy: -66.636 bonds (distance) P-C4' energy: -63.841 flat angles C4'-P-C4' energy: -78.366 flat angles P-C4'-P energy: -40.394 tors. eta vs tors. theta energy: -96.842 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: 4 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1026.354907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.354907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.354907 (E_RNA) where: Base-Base interactions energy: -688.368 where: short stacking energy: -316.750 Base-Backbone interact. energy: -1.435 local terms energy: -336.551078 where: bonds (distance) C4'-P energy: -60.411 bonds (distance) P-C4' energy: -62.193 flat angles C4'-P-C4' energy: -76.381 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: -87.128 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: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -974.583689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.583689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.583689 (E_RNA) where: Base-Base interactions energy: -645.518 where: short stacking energy: -302.361 Base-Backbone interact. energy: -1.394 local terms energy: -327.672064 where: bonds (distance) C4'-P energy: -63.245 bonds (distance) P-C4' energy: -70.669 flat angles C4'-P-C4' energy: -67.161 flat angles P-C4'-P energy: -43.945 tors. eta vs tors. theta energy: -82.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -949.361093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.361093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.361093 (E_RNA) where: Base-Base interactions energy: -633.089 where: short stacking energy: -315.312 Base-Backbone interact. energy: -0.531 local terms energy: -315.741451 where: bonds (distance) C4'-P energy: -45.568 bonds (distance) P-C4' energy: -62.707 flat angles C4'-P-C4' energy: -70.516 flat angles P-C4'-P energy: -46.184 tors. eta vs tors. theta energy: -90.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -666.173481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.173481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.173481 (E_RNA) where: Base-Base interactions energy: -404.904 where: short stacking energy: -194.805 Base-Backbone interact. energy: -1.179 local terms energy: -260.090029 where: bonds (distance) C4'-P energy: -60.726 bonds (distance) P-C4' energy: -60.628 flat angles C4'-P-C4' energy: -61.653 flat angles P-C4'-P energy: -34.783 tors. eta vs tors. theta energy: -42.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -502.676180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.676180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.676180 (E_RNA) where: Base-Base interactions energy: -280.906 where: short stacking energy: -150.965 Base-Backbone interact. energy: 0.849 local terms energy: -222.618789 where: bonds (distance) C4'-P energy: -68.014 bonds (distance) P-C4' energy: -61.925 flat angles C4'-P-C4' energy: -44.460 flat angles P-C4'-P energy: -35.098 tors. eta vs tors. theta energy: -13.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -311.548355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.548355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.548355 (E_RNA) where: Base-Base interactions energy: -121.415 where: short stacking energy: -100.183 Base-Backbone interact. energy: 2.556 local terms energy: -192.688838 where: bonds (distance) C4'-P energy: -58.255 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -49.877 flat angles P-C4'-P energy: -27.522 tors. eta vs tors. theta energy: 1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -326.294562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.294562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.294562 (E_RNA) where: Base-Base interactions energy: -133.882 where: short stacking energy: -93.737 Base-Backbone interact. energy: -0.065 local terms energy: -192.347735 where: bonds (distance) C4'-P energy: -49.054 bonds (distance) P-C4' energy: -57.226 flat angles C4'-P-C4' energy: -44.979 flat angles P-C4'-P energy: -35.695 tors. eta vs tors. theta energy: -5.395 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: 1, replica: 1 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1189.544822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.544822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.544822 (E_RNA) where: Base-Base interactions energy: -817.733 where: short stacking energy: -390.773 Base-Backbone interact. energy: 0.758 local terms energy: -372.569564 where: bonds (distance) C4'-P energy: -74.342 bonds (distance) P-C4' energy: -60.694 flat angles C4'-P-C4' energy: -76.241 flat angles P-C4'-P energy: -52.275 tors. eta vs tors. theta energy: -109.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1164.413577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.413577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.413577 (E_RNA) where: Base-Base interactions energy: -797.141 where: short stacking energy: -345.346 Base-Backbone interact. energy: -0.138 local terms energy: -367.134440 where: bonds (distance) C4'-P energy: -71.232 bonds (distance) P-C4' energy: -59.106 flat angles C4'-P-C4' energy: -77.257 flat angles P-C4'-P energy: -55.915 tors. eta vs tors. theta energy: -103.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1047.217550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.217550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.217550 (E_RNA) where: Base-Base interactions energy: -703.152 where: short stacking energy: -332.225 Base-Backbone interact. energy: -0.952 local terms energy: -343.113572 where: bonds (distance) C4'-P energy: -57.149 bonds (distance) P-C4' energy: -59.234 flat angles C4'-P-C4' energy: -76.022 flat angles P-C4'-P energy: -53.874 tors. eta vs tors. theta energy: -96.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1016.862427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.862427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.862427 (E_RNA) where: Base-Base interactions energy: -676.483 where: short stacking energy: -316.731 Base-Backbone interact. energy: 1.047 local terms energy: -341.426274 where: bonds (distance) C4'-P energy: -61.731 bonds (distance) P-C4' energy: -66.282 flat angles C4'-P-C4' energy: -78.842 flat angles P-C4'-P energy: -43.380 tors. eta vs tors. theta energy: -91.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -954.163219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.163219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.163219 (E_RNA) where: Base-Base interactions energy: -630.589 where: short stacking energy: -296.601 Base-Backbone interact. energy: -0.764 local terms energy: -322.810190 where: bonds (distance) C4'-P energy: -57.980 bonds (distance) P-C4' energy: -68.945 flat angles C4'-P-C4' energy: -71.516 flat angles P-C4'-P energy: -34.494 tors. eta vs tors. theta energy: -89.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -899.784096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.784096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.784096 (E_RNA) where: Base-Base interactions energy: -580.424 where: short stacking energy: -268.169 Base-Backbone interact. energy: -0.720 local terms energy: -318.639412 where: bonds (distance) C4'-P energy: -57.327 bonds (distance) P-C4' energy: -69.154 flat angles C4'-P-C4' energy: -63.019 flat angles P-C4'-P energy: -50.607 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: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -709.300294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.300294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.300294 (E_RNA) where: Base-Base interactions energy: -439.058 where: short stacking energy: -215.653 Base-Backbone interact. energy: 0.244 local terms energy: -270.486451 where: bonds (distance) C4'-P energy: -58.386 bonds (distance) P-C4' energy: -52.838 flat angles C4'-P-C4' energy: -64.458 flat angles P-C4'-P energy: -35.604 tors. eta vs tors. theta energy: -59.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -528.858956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.858956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.858956 (E_RNA) where: Base-Base interactions energy: -301.669 where: short stacking energy: -156.373 Base-Backbone interact. energy: -0.647 local terms energy: -226.542428 where: bonds (distance) C4'-P energy: -56.461 bonds (distance) P-C4' energy: -58.636 flat angles C4'-P-C4' energy: -59.395 flat angles P-C4'-P energy: -27.108 tors. eta vs tors. theta energy: -24.942 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: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -311.573171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.573171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.573171 (E_RNA) where: Base-Base interactions energy: -106.426 where: short stacking energy: -86.740 Base-Backbone interact. energy: 1.472 local terms energy: -206.619270 where: bonds (distance) C4'-P energy: -65.297 bonds (distance) P-C4' energy: -62.117 flat angles C4'-P-C4' energy: -49.371 flat angles P-C4'-P energy: -30.776 tors. eta vs tors. theta energy: 0.941 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: 7 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -302.004150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.004150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.004150 (E_RNA) where: Base-Base interactions energy: -92.062 where: short stacking energy: -77.715 Base-Backbone interact. energy: 1.476 local terms energy: -211.418094 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -56.131 flat angles C4'-P-C4' energy: -56.165 flat angles P-C4'-P energy: -45.373 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: 1, replica: 1 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1166.290258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.290258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.290258 (E_RNA) where: Base-Base interactions energy: -784.002 where: short stacking energy: -359.605 Base-Backbone interact. energy: -0.574 local terms energy: -381.714136 where: bonds (distance) C4'-P energy: -73.721 bonds (distance) P-C4' energy: -72.935 flat angles C4'-P-C4' energy: -81.544 flat angles P-C4'-P energy: -47.784 tors. eta vs tors. theta energy: -105.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1155.845467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.845467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.845467 (E_RNA) where: Base-Base interactions energy: -798.628 where: short stacking energy: -347.847 Base-Backbone interact. energy: -0.245 local terms energy: -356.972373 where: bonds (distance) C4'-P energy: -61.769 bonds (distance) P-C4' energy: -71.670 flat angles C4'-P-C4' energy: -72.395 flat angles P-C4'-P energy: -50.874 tors. eta vs tors. theta energy: -100.264 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: 3, replica: 4 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1059.725667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.725667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.725667 (E_RNA) where: Base-Base interactions energy: -713.502 where: short stacking energy: -343.060 Base-Backbone interact. energy: -0.718 local terms energy: -345.505611 where: bonds (distance) C4'-P energy: -66.058 bonds (distance) P-C4' energy: -65.511 flat angles C4'-P-C4' energy: -70.026 flat angles P-C4'-P energy: -47.283 tors. eta vs tors. theta energy: -96.628 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: 4, replica: 3 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1034.291789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.291789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.291789 (E_RNA) where: Base-Base interactions energy: -698.746 where: short stacking energy: -320.142 Base-Backbone interact. energy: 1.630 local terms energy: -337.176079 where: bonds (distance) C4'-P energy: -49.098 bonds (distance) P-C4' energy: -62.660 flat angles C4'-P-C4' energy: -80.426 flat angles P-C4'-P energy: -49.266 tors. eta vs tors. theta energy: -95.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -929.277452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.277452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.277452 (E_RNA) where: Base-Base interactions energy: -612.634 where: short stacking energy: -290.962 Base-Backbone interact. energy: -0.694 local terms energy: -315.949427 where: bonds (distance) C4'-P energy: -55.539 bonds (distance) P-C4' energy: -74.731 flat angles C4'-P-C4' energy: -62.012 flat angles P-C4'-P energy: -52.881 tors. eta vs tors. theta energy: -70.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -875.635225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.635225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.635225 (E_RNA) where: Base-Base interactions energy: -598.566 where: short stacking energy: -280.637 Base-Backbone interact. energy: 5.064 local terms energy: -282.132795 where: bonds (distance) C4'-P energy: -53.990 bonds (distance) P-C4' energy: -49.837 flat angles C4'-P-C4' energy: -62.267 flat angles P-C4'-P energy: -42.495 tors. eta vs tors. theta energy: -73.545 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: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -735.664438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.664438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.664438 (E_RNA) where: Base-Base interactions energy: -474.138 where: short stacking energy: -242.916 Base-Backbone interact. energy: -0.252 local terms energy: -261.274905 where: bonds (distance) C4'-P energy: -60.538 bonds (distance) P-C4' energy: -54.170 flat angles C4'-P-C4' energy: -56.124 flat angles P-C4'-P energy: -31.843 tors. eta vs tors. theta energy: -58.601 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: 378 Temperature: 1.250000 Total energy: -519.604161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.604161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.604161 (E_RNA) where: Base-Base interactions energy: -303.636 where: short stacking energy: -150.111 Base-Backbone interact. energy: 1.448 local terms energy: -217.417039 where: bonds (distance) C4'-P energy: -48.394 bonds (distance) P-C4' energy: -57.178 flat angles C4'-P-C4' energy: -57.542 flat angles P-C4'-P energy: -34.096 tors. eta vs tors. theta energy: -20.207 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: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -298.169679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.169679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.169679 (E_RNA) where: Base-Base interactions energy: -102.455 where: short stacking energy: -93.943 Base-Backbone interact. energy: -1.528 local terms energy: -194.186316 where: bonds (distance) C4'-P energy: -49.955 bonds (distance) P-C4' energy: -61.765 flat angles C4'-P-C4' energy: -64.419 flat angles P-C4'-P energy: -37.449 tors. eta vs tors. theta energy: 19.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -276.078912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.078912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.078912 (E_RNA) where: Base-Base interactions energy: -87.145 where: short stacking energy: -76.199 Base-Backbone interact. energy: -0.770 local terms energy: -188.164079 where: bonds (distance) C4'-P energy: -59.566 bonds (distance) P-C4' energy: -59.965 flat angles C4'-P-C4' energy: -47.600 flat angles P-C4'-P energy: -38.371 tors. eta vs tors. theta energy: 17.337 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: 1 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1196.967909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.967909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.967909 (E_RNA) where: Base-Base interactions energy: -809.690 where: short stacking energy: -379.650 Base-Backbone interact. energy: -1.251 local terms energy: -386.026213 where: bonds (distance) C4'-P energy: -78.673 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -79.007 flat angles P-C4'-P energy: -48.798 tors. eta vs tors. theta energy: -111.514 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: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1135.156330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.156330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.156330 (E_RNA) where: Base-Base interactions energy: -783.330 where: short stacking energy: -342.357 Base-Backbone interact. energy: -3.104 local terms energy: -348.722558 where: bonds (distance) C4'-P energy: -65.832 bonds (distance) P-C4' energy: -56.821 flat angles C4'-P-C4' energy: -73.239 flat angles P-C4'-P energy: -53.601 tors. eta vs tors. theta energy: -99.229 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: 379 Temperature: 1.000000 Total energy: -1072.773316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.773316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.773316 (E_RNA) where: Base-Base interactions energy: -704.248 where: short stacking energy: -342.234 Base-Backbone interact. energy: 0.533 local terms energy: -369.058529 where: bonds (distance) C4'-P energy: -71.288 bonds (distance) P-C4' energy: -68.640 flat angles C4'-P-C4' energy: -83.093 flat angles P-C4'-P energy: -53.060 tors. eta vs tors. theta energy: -92.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1040.506834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.506834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.506834 (E_RNA) where: Base-Base interactions energy: -708.583 where: short stacking energy: -320.596 Base-Backbone interact. energy: -0.721 local terms energy: -331.202594 where: bonds (distance) C4'-P energy: -61.185 bonds (distance) P-C4' energy: -68.499 flat angles C4'-P-C4' energy: -68.614 flat angles P-C4'-P energy: -42.655 tors. eta vs tors. theta energy: -90.251 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: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -911.474423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.474423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.474423 (E_RNA) where: Base-Base interactions energy: -604.347 where: short stacking energy: -275.483 Base-Backbone interact. energy: -1.042 local terms energy: -306.084792 where: bonds (distance) C4'-P energy: -48.346 bonds (distance) P-C4' energy: -67.286 flat angles C4'-P-C4' energy: -68.987 flat angles P-C4'-P energy: -47.940 tors. eta vs tors. theta energy: -73.526 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: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -869.001611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.001611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.001611 (E_RNA) where: Base-Base interactions energy: -568.439 where: short stacking energy: -269.939 Base-Backbone interact. energy: -1.587 local terms energy: -298.975704 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -57.532 flat angles C4'-P-C4' energy: -71.176 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: -62.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -679.520304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.520304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.520304 (E_RNA) where: Base-Base interactions energy: -422.670 where: short stacking energy: -203.978 Base-Backbone interact. energy: 1.163 local terms energy: -258.012905 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -60.112 flat angles C4'-P-C4' energy: -58.026 flat angles P-C4'-P energy: -45.570 tors. eta vs tors. theta energy: -37.939 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: 2 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -525.932292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.932292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.932292 (E_RNA) where: Base-Base interactions energy: -293.102 where: short stacking energy: -139.802 Base-Backbone interact. energy: -1.559 local terms energy: -231.271397 where: bonds (distance) C4'-P energy: -61.916 bonds (distance) P-C4' energy: -69.199 flat angles C4'-P-C4' energy: -67.087 flat angles P-C4'-P energy: -21.928 tors. eta vs tors. theta energy: -11.142 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: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -291.925054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.925054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.925054 (E_RNA) where: Base-Base interactions energy: -109.273 where: short stacking energy: -88.377 Base-Backbone interact. energy: 0.330 local terms energy: -182.981755 where: bonds (distance) C4'-P energy: -48.714 bonds (distance) P-C4' energy: -59.669 flat angles C4'-P-C4' energy: -48.682 flat angles P-C4'-P energy: -28.799 tors. eta vs tors. theta energy: 2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -288.427078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.427078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.427078 (E_RNA) where: Base-Base interactions energy: -99.267 where: short stacking energy: -96.797 Base-Backbone interact. energy: -1.066 local terms energy: -188.093921 where: bonds (distance) C4'-P energy: -44.020 bonds (distance) P-C4' energy: -62.444 flat angles C4'-P-C4' energy: -52.917 flat angles P-C4'-P energy: -25.486 tors. eta vs tors. theta energy: -3.228 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: 1, replica: 1 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1175.678646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.678646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.678646 (E_RNA) where: Base-Base interactions energy: -798.594 where: short stacking energy: -372.289 Base-Backbone interact. energy: -0.570 local terms energy: -376.514539 where: bonds (distance) C4'-P energy: -64.725 bonds (distance) P-C4' energy: -65.066 flat angles C4'-P-C4' energy: -81.011 flat angles P-C4'-P energy: -55.214 tors. eta vs tors. theta energy: -110.498 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: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1139.423180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.423180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.423180 (E_RNA) where: Base-Base interactions energy: -770.369 where: short stacking energy: -341.887 Base-Backbone interact. energy: -1.612 local terms energy: -367.442892 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -73.650 flat angles C4'-P-C4' energy: -83.274 flat angles P-C4'-P energy: -48.903 tors. eta vs tors. theta energy: -99.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1057.120116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.120116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.120116 (E_RNA) where: Base-Base interactions energy: -707.519 where: short stacking energy: -339.327 Base-Backbone interact. energy: -0.651 local terms energy: -348.950097 where: bonds (distance) C4'-P energy: -63.133 bonds (distance) P-C4' energy: -54.009 flat angles C4'-P-C4' energy: -79.276 flat angles P-C4'-P energy: -53.281 tors. eta vs tors. theta energy: -99.251 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: 3 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1035.363285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.363285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.363285 (E_RNA) where: Base-Base interactions energy: -699.858 where: short stacking energy: -312.864 Base-Backbone interact. energy: -0.782 local terms energy: -334.723330 where: bonds (distance) C4'-P energy: -65.364 bonds (distance) P-C4' energy: -58.574 flat angles C4'-P-C4' energy: -73.011 flat angles P-C4'-P energy: -49.409 tors. eta vs tors. theta energy: -88.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -932.708137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.708137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.708137 (E_RNA) where: Base-Base interactions energy: -622.685 where: short stacking energy: -276.558 Base-Backbone interact. energy: -1.258 local terms energy: -308.764957 where: bonds (distance) C4'-P energy: -55.032 bonds (distance) P-C4' energy: -63.601 flat angles C4'-P-C4' energy: -67.902 flat angles P-C4'-P energy: -48.161 tors. eta vs tors. theta energy: -74.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -840.601482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.601482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.601482 (E_RNA) where: Base-Base interactions energy: -553.989 where: short stacking energy: -275.311 Base-Backbone interact. energy: -1.164 local terms energy: -285.448482 where: bonds (distance) C4'-P energy: -55.746 bonds (distance) P-C4' energy: -62.713 flat angles C4'-P-C4' energy: -63.544 flat angles P-C4'-P energy: -35.708 tors. eta vs tors. theta energy: -67.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -687.008614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.008614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.008614 (E_RNA) where: Base-Base interactions energy: -393.453 where: short stacking energy: -188.384 Base-Backbone interact. energy: -0.323 local terms energy: -293.232081 where: bonds (distance) C4'-P energy: -68.470 bonds (distance) P-C4' energy: -65.339 flat angles C4'-P-C4' energy: -66.409 flat angles P-C4'-P energy: -46.295 tors. eta vs tors. theta energy: -46.719 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: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -517.903231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.903231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.903231 (E_RNA) where: Base-Base interactions energy: -271.482 where: short stacking energy: -152.770 Base-Backbone interact. energy: -0.386 local terms energy: -246.035097 where: bonds (distance) C4'-P energy: -70.548 bonds (distance) P-C4' energy: -62.539 flat angles C4'-P-C4' energy: -63.222 flat angles P-C4'-P energy: -32.799 tors. eta vs tors. theta energy: -16.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -327.850699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.850699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.850699 (E_RNA) where: Base-Base interactions energy: -125.857 where: short stacking energy: -109.423 Base-Backbone interact. energy: -0.146 local terms energy: -201.848554 where: bonds (distance) C4'-P energy: -52.216 bonds (distance) P-C4' energy: -61.304 flat angles C4'-P-C4' energy: -46.076 flat angles P-C4'-P energy: -32.115 tors. eta vs tors. theta energy: -10.137 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: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -270.981457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.981457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.981457 (E_RNA) where: Base-Base interactions energy: -90.752 where: short stacking energy: -75.208 Base-Backbone interact. energy: 1.479 local terms energy: -181.707729 where: bonds (distance) C4'-P energy: -46.683 bonds (distance) P-C4' energy: -61.207 flat angles C4'-P-C4' energy: -44.739 flat angles P-C4'-P energy: -37.980 tors. eta vs tors. theta energy: 8.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1174.778025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.778025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.778025 (E_RNA) where: Base-Base interactions energy: -801.210 where: short stacking energy: -376.625 Base-Backbone interact. energy: -0.483 local terms energy: -373.084795 where: bonds (distance) C4'-P energy: -75.294 bonds (distance) P-C4' energy: -55.655 flat angles C4'-P-C4' energy: -79.068 flat angles P-C4'-P energy: -54.797 tors. eta vs tors. theta energy: -108.271 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: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1149.427007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.427007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.427007 (E_RNA) where: Base-Base interactions energy: -791.089 where: short stacking energy: -354.877 Base-Backbone interact. energy: -1.204 local terms energy: -357.133439 where: bonds (distance) C4'-P energy: -58.564 bonds (distance) P-C4' energy: -73.959 flat angles C4'-P-C4' energy: -77.030 flat angles P-C4'-P energy: -42.582 tors. eta vs tors. theta energy: -104.999 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: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1032.679411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.679411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.679411 (E_RNA) where: Base-Base interactions energy: -675.094 where: short stacking energy: -327.739 Base-Backbone interact. energy: 0.322 local terms energy: -357.907124 where: bonds (distance) C4'-P energy: -63.576 bonds (distance) P-C4' energy: -72.636 flat angles C4'-P-C4' energy: -72.853 flat angles P-C4'-P energy: -51.653 tors. eta vs tors. theta energy: -97.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1015.104248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.104248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.104248 (E_RNA) where: Base-Base interactions energy: -699.359 where: short stacking energy: -305.816 Base-Backbone interact. energy: -2.334 local terms energy: -313.411020 where: bonds (distance) C4'-P energy: -52.223 bonds (distance) P-C4' energy: -60.029 flat angles C4'-P-C4' energy: -67.689 flat angles P-C4'-P energy: -46.484 tors. eta vs tors. theta energy: -86.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -910.836619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.836619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.836619 (E_RNA) where: Base-Base interactions energy: -587.320 where: short stacking energy: -269.102 Base-Backbone interact. energy: -0.606 local terms energy: -322.910096 where: bonds (distance) C4'-P energy: -56.108 bonds (distance) P-C4' energy: -71.743 flat angles C4'-P-C4' energy: -73.431 flat angles P-C4'-P energy: -41.633 tors. eta vs tors. theta energy: -79.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -810.195069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.195069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.195069 (E_RNA) where: Base-Base interactions energy: -512.552 where: short stacking energy: -252.979 Base-Backbone interact. energy: -1.651 local terms energy: -295.992168 where: bonds (distance) C4'-P energy: -63.178 bonds (distance) P-C4' energy: -68.208 flat angles C4'-P-C4' energy: -62.043 flat angles P-C4'-P energy: -39.893 tors. eta vs tors. theta energy: -62.670 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: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -695.091178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.091178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.091178 (E_RNA) where: Base-Base interactions energy: -400.973 where: short stacking energy: -201.076 Base-Backbone interact. energy: -0.156 local terms energy: -293.962003 where: bonds (distance) C4'-P energy: -61.537 bonds (distance) P-C4' energy: -71.292 flat angles C4'-P-C4' energy: -55.394 flat angles P-C4'-P energy: -51.406 tors. eta vs tors. theta energy: -54.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -467.834918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.834918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.834918 (E_RNA) where: Base-Base interactions energy: -246.923 where: short stacking energy: -152.129 Base-Backbone interact. energy: 0.488 local terms energy: -221.399645 where: bonds (distance) C4'-P energy: -50.238 bonds (distance) P-C4' energy: -63.496 flat angles C4'-P-C4' energy: -58.078 flat angles P-C4'-P energy: -28.365 tors. eta vs tors. theta energy: -21.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -344.220525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.220525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.220525 (E_RNA) where: Base-Base interactions energy: -151.326 where: short stacking energy: -105.900 Base-Backbone interact. energy: -0.202 local terms energy: -192.692404 where: bonds (distance) C4'-P energy: -60.630 bonds (distance) P-C4' energy: -68.701 flat angles C4'-P-C4' energy: -46.507 flat angles P-C4'-P energy: -20.008 tors. eta vs tors. theta energy: 3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -332.344833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.344833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.344833 (E_RNA) where: Base-Base interactions energy: -143.111 where: short stacking energy: -105.311 Base-Backbone interact. energy: -0.797 local terms energy: -188.437602 where: bonds (distance) C4'-P energy: -55.304 bonds (distance) P-C4' energy: -57.391 flat angles C4'-P-C4' energy: -46.669 flat angles P-C4'-P energy: -25.972 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1179.550890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.550890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.550890 (E_RNA) where: Base-Base interactions energy: -794.786 where: short stacking energy: -376.185 Base-Backbone interact. energy: -1.571 local terms energy: -383.193836 where: bonds (distance) C4'-P energy: -63.934 bonds (distance) P-C4' energy: -72.984 flat angles C4'-P-C4' energy: -82.810 flat angles P-C4'-P energy: -53.312 tors. eta vs tors. theta energy: -110.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1162.211278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.211278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.211278 (E_RNA) where: Base-Base interactions energy: -790.848 where: short stacking energy: -357.409 Base-Backbone interact. energy: -1.066 local terms energy: -370.297612 where: bonds (distance) C4'-P energy: -69.702 bonds (distance) P-C4' energy: -62.660 flat angles C4'-P-C4' energy: -81.117 flat angles P-C4'-P energy: -50.818 tors. eta vs tors. theta energy: -106.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1025.356143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.356143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.356143 (E_RNA) where: Base-Base interactions energy: -683.533 where: short stacking energy: -335.856 Base-Backbone interact. energy: -1.031 local terms energy: -340.791988 where: bonds (distance) C4'-P energy: -64.249 bonds (distance) P-C4' energy: -60.200 flat angles C4'-P-C4' energy: -75.780 flat angles P-C4'-P energy: -49.142 tors. eta vs tors. theta energy: -91.422 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: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1016.517218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.517218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.517218 (E_RNA) where: Base-Base interactions energy: -688.814 where: short stacking energy: -310.256 Base-Backbone interact. energy: -1.080 local terms energy: -326.623178 where: bonds (distance) C4'-P energy: -59.541 bonds (distance) P-C4' energy: -61.338 flat angles C4'-P-C4' energy: -65.188 flat angles P-C4'-P energy: -45.347 tors. eta vs tors. theta energy: -95.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -919.097129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.097129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.097129 (E_RNA) where: Base-Base interactions energy: -585.193 where: short stacking energy: -273.509 Base-Backbone interact. energy: -0.519 local terms energy: -333.385233 where: bonds (distance) C4'-P energy: -62.878 bonds (distance) P-C4' energy: -71.135 flat angles C4'-P-C4' energy: -72.201 flat angles P-C4'-P energy: -45.486 tors. eta vs tors. theta energy: -81.686 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: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -867.029597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.029597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.029597 (E_RNA) where: Base-Base interactions energy: -550.967 where: short stacking energy: -279.942 Base-Backbone interact. energy: -0.140 local terms energy: -315.923355 where: bonds (distance) C4'-P energy: -52.024 bonds (distance) P-C4' energy: -67.794 flat angles C4'-P-C4' energy: -74.285 flat angles P-C4'-P energy: -38.913 tors. eta vs tors. theta energy: -82.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -673.991329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.991329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.991329 (E_RNA) where: Base-Base interactions energy: -394.125 where: short stacking energy: -195.440 Base-Backbone interact. energy: -1.226 local terms energy: -278.640218 where: bonds (distance) C4'-P energy: -55.008 bonds (distance) P-C4' energy: -67.972 flat angles C4'-P-C4' energy: -72.564 flat angles P-C4'-P energy: -42.232 tors. eta vs tors. theta energy: -40.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -504.003034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.003034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.003034 (E_RNA) where: Base-Base interactions energy: -266.251 where: short stacking energy: -164.772 Base-Backbone interact. energy: 0.703 local terms energy: -238.454292 where: bonds (distance) C4'-P energy: -50.242 bonds (distance) P-C4' energy: -51.931 flat angles C4'-P-C4' energy: -62.601 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -33.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -377.759635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.759635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.759635 (E_RNA) where: Base-Base interactions energy: -167.893 where: short stacking energy: -96.508 Base-Backbone interact. energy: 3.291 local terms energy: -213.157670 where: bonds (distance) C4'-P energy: -63.711 bonds (distance) P-C4' energy: -66.920 flat angles C4'-P-C4' energy: -58.059 flat angles P-C4'-P energy: -25.646 tors. eta vs tors. theta energy: 1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -299.765391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.765391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.765391 (E_RNA) where: Base-Base interactions energy: -116.788 where: short stacking energy: -79.730 Base-Backbone interact. energy: 4.297 local terms energy: -187.274140 where: bonds (distance) C4'-P energy: -37.628 bonds (distance) P-C4' energy: -74.568 flat angles C4'-P-C4' energy: -52.116 flat angles P-C4'-P energy: -31.709 tors. eta vs tors. theta energy: 8.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1208.335105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.335105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.335105 (E_RNA) where: Base-Base interactions energy: -818.649 where: short stacking energy: -385.148 Base-Backbone interact. energy: 1.873 local terms energy: -391.559726 where: bonds (distance) C4'-P energy: -69.102 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -83.940 flat angles P-C4'-P energy: -60.305 tors. eta vs tors. theta energy: -107.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1177.740647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.740647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.740647 (E_RNA) where: Base-Base interactions energy: -809.519 where: short stacking energy: -364.102 Base-Backbone interact. energy: -0.848 local terms energy: -367.373803 where: bonds (distance) C4'-P energy: -65.723 bonds (distance) P-C4' energy: -70.715 flat angles C4'-P-C4' energy: -82.927 flat angles P-C4'-P energy: -45.766 tors. eta vs tors. theta energy: -102.243 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: 3, replica: 4 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1030.855750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.855750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.855750 (E_RNA) where: Base-Base interactions energy: -689.668 where: short stacking energy: -327.558 Base-Backbone interact. energy: -1.369 local terms energy: -339.819014 where: bonds (distance) C4'-P energy: -69.650 bonds (distance) P-C4' energy: -62.163 flat angles C4'-P-C4' energy: -69.781 flat angles P-C4'-P energy: -43.293 tors. eta vs tors. theta energy: -94.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1004.074163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.074163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.074163 (E_RNA) where: Base-Base interactions energy: -681.541 where: short stacking energy: -299.417 Base-Backbone interact. energy: -0.150 local terms energy: -322.383274 where: bonds (distance) C4'-P energy: -66.612 bonds (distance) P-C4' energy: -55.932 flat angles C4'-P-C4' energy: -61.493 flat angles P-C4'-P energy: -45.634 tors. eta vs tors. theta energy: -92.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -898.216449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.216449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.216449 (E_RNA) where: Base-Base interactions energy: -584.319 where: short stacking energy: -292.100 Base-Backbone interact. energy: -1.243 local terms energy: -312.654476 where: bonds (distance) C4'-P energy: -53.589 bonds (distance) P-C4' energy: -68.366 flat angles C4'-P-C4' energy: -65.679 flat angles P-C4'-P energy: -46.706 tors. eta vs tors. theta energy: -78.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -818.530434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.530434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.530434 (E_RNA) where: Base-Base interactions energy: -521.078 where: short stacking energy: -232.060 Base-Backbone interact. energy: -1.182 local terms energy: -296.271022 where: bonds (distance) C4'-P energy: -63.524 bonds (distance) P-C4' energy: -62.877 flat angles C4'-P-C4' energy: -64.809 flat angles P-C4'-P energy: -46.790 tors. eta vs tors. theta energy: -58.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -657.468168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.468168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.468168 (E_RNA) where: Base-Base interactions energy: -385.105 where: short stacking energy: -192.374 Base-Backbone interact. energy: -1.963 local terms energy: -270.400084 where: bonds (distance) C4'-P energy: -73.037 bonds (distance) P-C4' energy: -46.403 flat angles C4'-P-C4' energy: -67.836 flat angles P-C4'-P energy: -42.331 tors. eta vs tors. theta energy: -40.793 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: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -445.288809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.288809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.288809 (E_RNA) where: Base-Base interactions energy: -227.531 where: short stacking energy: -138.134 Base-Backbone interact. energy: -1.248 local terms energy: -216.510444 where: bonds (distance) C4'-P energy: -55.400 bonds (distance) P-C4' energy: -71.650 flat angles C4'-P-C4' energy: -37.530 flat angles P-C4'-P energy: -36.581 tors. eta vs tors. theta energy: -15.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -378.037052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.037052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.037052 (E_RNA) where: Base-Base interactions energy: -192.629 where: short stacking energy: -126.158 Base-Backbone interact. energy: 1.211 local terms energy: -186.618423 where: bonds (distance) C4'-P energy: -58.440 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -44.652 flat angles P-C4'-P energy: -26.070 tors. eta vs tors. theta energy: 0.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -300.012961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.012961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.012961 (E_RNA) where: Base-Base interactions energy: -132.546 where: short stacking energy: -99.424 Base-Backbone interact. energy: 1.713 local terms energy: -169.179246 where: bonds (distance) C4'-P energy: -53.005 bonds (distance) P-C4' energy: -58.305 flat angles C4'-P-C4' energy: -52.468 flat angles P-C4'-P energy: -19.508 tors. eta vs tors. theta energy: 14.107 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: 1 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1181.074228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.074228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.074228 (E_RNA) where: Base-Base interactions energy: -803.636 where: short stacking energy: -363.720 Base-Backbone interact. energy: 1.052 local terms energy: -378.489828 where: bonds (distance) C4'-P energy: -66.567 bonds (distance) P-C4' energy: -69.599 flat angles C4'-P-C4' energy: -81.499 flat angles P-C4'-P energy: -56.418 tors. eta vs tors. theta energy: -104.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1161.861154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.861154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.861154 (E_RNA) where: Base-Base interactions energy: -810.199 where: short stacking energy: -360.691 Base-Backbone interact. energy: -1.657 local terms energy: -350.004556 where: bonds (distance) C4'-P energy: -65.330 bonds (distance) P-C4' energy: -60.121 flat angles C4'-P-C4' energy: -76.004 flat angles P-C4'-P energy: -42.943 tors. eta vs tors. theta energy: -105.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1054.538887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.538887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.538887 (E_RNA) where: Base-Base interactions energy: -702.600 where: short stacking energy: -336.825 Base-Backbone interact. energy: 0.493 local terms energy: -352.431472 where: bonds (distance) C4'-P energy: -68.590 bonds (distance) P-C4' energy: -58.002 flat angles C4'-P-C4' energy: -74.045 flat angles P-C4'-P energy: -56.025 tors. eta vs tors. theta energy: -95.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1039.239383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.239383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.239383 (E_RNA) where: Base-Base interactions energy: -699.193 where: short stacking energy: -318.747 Base-Backbone interact. energy: -1.832 local terms energy: -338.215081 where: bonds (distance) C4'-P energy: -66.692 bonds (distance) P-C4' energy: -63.538 flat angles C4'-P-C4' energy: -66.938 flat angles P-C4'-P energy: -54.583 tors. eta vs tors. theta energy: -86.464 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: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -955.807002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.807002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.807002 (E_RNA) where: Base-Base interactions energy: -624.863 where: short stacking energy: -301.178 Base-Backbone interact. energy: -0.563 local terms energy: -330.381862 where: bonds (distance) C4'-P energy: -62.886 bonds (distance) P-C4' energy: -67.095 flat angles C4'-P-C4' energy: -68.520 flat angles P-C4'-P energy: -43.500 tors. eta vs tors. theta energy: -88.381 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: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -838.158062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.158062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.158062 (E_RNA) where: Base-Base interactions energy: -552.156 where: short stacking energy: -254.544 Base-Backbone interact. energy: -0.983 local terms energy: -285.018766 where: bonds (distance) C4'-P energy: -70.617 bonds (distance) P-C4' energy: -61.335 flat angles C4'-P-C4' energy: -56.079 flat angles P-C4'-P energy: -36.435 tors. eta vs tors. theta energy: -60.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -696.803486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.803486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.803486 (E_RNA) where: Base-Base interactions energy: -408.918 where: short stacking energy: -211.480 Base-Backbone interact. energy: 0.688 local terms energy: -288.573521 where: bonds (distance) C4'-P energy: -59.464 bonds (distance) P-C4' energy: -66.727 flat angles C4'-P-C4' energy: -69.920 flat angles P-C4'-P energy: -35.087 tors. eta vs tors. theta energy: -57.375 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: 8, replica: 2 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -473.406503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.406503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.406503 (E_RNA) where: Base-Base interactions energy: -244.598 where: short stacking energy: -132.649 Base-Backbone interact. energy: 0.041 local terms energy: -228.848987 where: bonds (distance) C4'-P energy: -48.960 bonds (distance) P-C4' energy: -65.549 flat angles C4'-P-C4' energy: -58.953 flat angles P-C4'-P energy: -43.024 tors. eta vs tors. theta energy: -12.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -437.139482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.139482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.139482 (E_RNA) where: Base-Base interactions energy: -208.661 where: short stacking energy: -121.133 Base-Backbone interact. energy: 1.480 local terms energy: -229.958529 where: bonds (distance) C4'-P energy: -62.605 bonds (distance) P-C4' energy: -67.480 flat angles C4'-P-C4' energy: -56.589 flat angles P-C4'-P energy: -24.525 tors. eta vs tors. theta energy: -18.760 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: 10, replica: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -303.407712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.407712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.407712 (E_RNA) where: Base-Base interactions energy: -118.683 where: short stacking energy: -79.328 Base-Backbone interact. energy: -0.802 local terms energy: -183.922924 where: bonds (distance) C4'-P energy: -63.458 bonds (distance) P-C4' energy: -63.105 flat angles C4'-P-C4' energy: -50.584 flat angles P-C4'-P energy: -18.067 tors. eta vs tors. theta energy: 11.292 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: 1 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1177.016811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.016811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.016811 (E_RNA) where: Base-Base interactions energy: -787.134 where: short stacking energy: -364.455 Base-Backbone interact. energy: -0.439 local terms energy: -389.443499 where: bonds (distance) C4'-P energy: -69.303 bonds (distance) P-C4' energy: -72.098 flat angles C4'-P-C4' energy: -79.653 flat angles P-C4'-P energy: -57.258 tors. eta vs tors. theta energy: -111.132 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: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1145.821698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.821698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.821698 (E_RNA) where: Base-Base interactions energy: -770.012 where: short stacking energy: -354.382 Base-Backbone interact. energy: -0.848 local terms energy: -374.961684 where: bonds (distance) C4'-P energy: -65.951 bonds (distance) P-C4' energy: -77.985 flat angles C4'-P-C4' energy: -79.266 flat angles P-C4'-P energy: -47.326 tors. eta vs tors. theta energy: -104.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1042.904692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.904692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.904692 (E_RNA) where: Base-Base interactions energy: -688.451 where: short stacking energy: -314.443 Base-Backbone interact. energy: -1.483 local terms energy: -352.970464 where: bonds (distance) C4'-P energy: -66.638 bonds (distance) P-C4' energy: -71.788 flat angles C4'-P-C4' energy: -71.355 flat angles P-C4'-P energy: -49.295 tors. eta vs tors. theta energy: -93.894 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: 4, replica: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1006.171320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.171320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.171320 (E_RNA) where: Base-Base interactions energy: -688.462 where: short stacking energy: -292.411 Base-Backbone interact. energy: -4.385 local terms energy: -313.324636 where: bonds (distance) C4'-P energy: -58.646 bonds (distance) P-C4' energy: -62.768 flat angles C4'-P-C4' energy: -66.719 flat angles P-C4'-P energy: -42.510 tors. eta vs tors. theta energy: -82.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -915.667399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.667399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.667399 (E_RNA) where: Base-Base interactions energy: -628.412 where: short stacking energy: -282.762 Base-Backbone interact. energy: 2.376 local terms energy: -289.631166 where: bonds (distance) C4'-P energy: -52.101 bonds (distance) P-C4' energy: -70.698 flat angles C4'-P-C4' energy: -61.295 flat angles P-C4'-P energy: -38.854 tors. eta vs tors. theta energy: -66.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -853.578121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.578121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.578121 (E_RNA) where: Base-Base interactions energy: -531.452 where: short stacking energy: -241.399 Base-Backbone interact. energy: -1.711 local terms energy: -320.415532 where: bonds (distance) C4'-P energy: -69.041 bonds (distance) P-C4' energy: -68.010 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -46.700 tors. eta vs tors. theta energy: -70.586 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: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -684.212589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.212589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.212589 (E_RNA) where: Base-Base interactions energy: -405.074 where: short stacking energy: -188.070 Base-Backbone interact. energy: 3.293 local terms energy: -282.430917 where: bonds (distance) C4'-P energy: -55.235 bonds (distance) P-C4' energy: -69.963 flat angles C4'-P-C4' energy: -68.730 flat angles P-C4'-P energy: -48.802 tors. eta vs tors. theta energy: -39.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -500.568071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.568071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.568071 (E_RNA) where: Base-Base interactions energy: -249.475 where: short stacking energy: -146.155 Base-Backbone interact. energy: -0.061 local terms energy: -251.032160 where: bonds (distance) C4'-P energy: -63.966 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -57.473 flat angles P-C4'-P energy: -41.369 tors. eta vs tors. theta energy: -14.097 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: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -427.703132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.703132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.703132 (E_RNA) where: Base-Base interactions energy: -224.880 where: short stacking energy: -139.258 Base-Backbone interact. energy: -1.018 local terms energy: -201.805505 where: bonds (distance) C4'-P energy: -54.925 bonds (distance) P-C4' energy: -53.480 flat angles C4'-P-C4' energy: -49.071 flat angles P-C4'-P energy: -35.836 tors. eta vs tors. theta energy: -8.494 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: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -350.586504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.586504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.586504 (E_RNA) where: Base-Base interactions energy: -174.944 where: short stacking energy: -98.705 Base-Backbone interact. energy: 2.517 local terms energy: -178.158852 where: bonds (distance) C4'-P energy: -57.857 bonds (distance) P-C4' energy: -52.711 flat angles C4'-P-C4' energy: -41.244 flat angles P-C4'-P energy: -23.256 tors. eta vs tors. theta energy: -3.090 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: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1185.114398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.114398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.114398 (E_RNA) where: Base-Base interactions energy: -797.591 where: short stacking energy: -377.833 Base-Backbone interact. energy: -0.527 local terms energy: -386.996544 where: bonds (distance) C4'-P energy: -68.852 bonds (distance) P-C4' energy: -58.736 flat angles C4'-P-C4' energy: -86.172 flat angles P-C4'-P energy: -59.545 tors. eta vs tors. theta energy: -113.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1137.536257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.536257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.536257 (E_RNA) where: Base-Base interactions energy: -759.976 where: short stacking energy: -329.470 Base-Backbone interact. energy: -0.580 local terms energy: -376.980384 where: bonds (distance) C4'-P energy: -74.140 bonds (distance) P-C4' energy: -67.644 flat angles C4'-P-C4' energy: -77.411 flat angles P-C4'-P energy: -57.246 tors. eta vs tors. theta energy: -100.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1037.168708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.168708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.168708 (E_RNA) where: Base-Base interactions energy: -682.223 where: short stacking energy: -319.779 Base-Backbone interact. energy: -0.290 local terms energy: -354.654962 where: bonds (distance) C4'-P energy: -71.795 bonds (distance) P-C4' energy: -67.674 flat angles C4'-P-C4' energy: -75.549 flat angles P-C4'-P energy: -47.516 tors. eta vs tors. theta energy: -92.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1024.259835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.259835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.259835 (E_RNA) where: Base-Base interactions energy: -677.964 where: short stacking energy: -317.520 Base-Backbone interact. energy: -2.959 local terms energy: -343.336817 where: bonds (distance) C4'-P energy: -61.339 bonds (distance) P-C4' energy: -59.501 flat angles C4'-P-C4' energy: -76.497 flat angles P-C4'-P energy: -45.998 tors. eta vs tors. theta energy: -100.002 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: 9 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -939.878094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.878094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.878094 (E_RNA) where: Base-Base interactions energy: -621.299 where: short stacking energy: -299.734 Base-Backbone interact. energy: -0.502 local terms energy: -318.076786 where: bonds (distance) C4'-P energy: -63.851 bonds (distance) P-C4' energy: -67.459 flat angles C4'-P-C4' energy: -70.003 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -74.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -840.529203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.529203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.529203 (E_RNA) where: Base-Base interactions energy: -519.895 where: short stacking energy: -246.361 Base-Backbone interact. energy: 0.585 local terms energy: -321.220016 where: bonds (distance) C4'-P energy: -59.302 bonds (distance) P-C4' energy: -70.995 flat angles C4'-P-C4' energy: -66.224 flat angles P-C4'-P energy: -52.325 tors. eta vs tors. theta energy: -72.374 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: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -689.817419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.817419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.817419 (E_RNA) where: Base-Base interactions energy: -412.008 where: short stacking energy: -213.438 Base-Backbone interact. energy: 1.303 local terms energy: -279.113001 where: bonds (distance) C4'-P energy: -65.281 bonds (distance) P-C4' energy: -57.266 flat angles C4'-P-C4' energy: -65.866 flat angles P-C4'-P energy: -38.932 tors. eta vs tors. theta energy: -51.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -432.323619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.323619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.323619 (E_RNA) where: Base-Base interactions energy: -216.115 where: short stacking energy: -148.765 Base-Backbone interact. energy: 0.426 local terms energy: -216.635107 where: bonds (distance) C4'-P energy: -56.549 bonds (distance) P-C4' energy: -60.979 flat angles C4'-P-C4' energy: -46.131 flat angles P-C4'-P energy: -30.460 tors. eta vs tors. theta energy: -22.516 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: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -318.977171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.977171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.977171 (E_RNA) where: Base-Base interactions energy: -123.211 where: short stacking energy: -107.636 Base-Backbone interact. energy: -0.144 local terms energy: -195.622276 where: bonds (distance) C4'-P energy: -47.720 bonds (distance) P-C4' energy: -59.940 flat angles C4'-P-C4' energy: -59.082 flat angles P-C4'-P energy: -34.446 tors. eta vs tors. theta energy: 5.567 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: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -390.274931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.274931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.274931 (E_RNA) where: Base-Base interactions energy: -196.270 where: short stacking energy: -105.216 Base-Backbone interact. energy: -0.874 local terms energy: -193.131251 where: bonds (distance) C4'-P energy: -48.142 bonds (distance) P-C4' energy: -51.585 flat angles C4'-P-C4' energy: -57.126 flat angles P-C4'-P energy: -27.733 tors. eta vs tors. theta energy: -8.544 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: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1187.651386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.651386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.651386 (E_RNA) where: Base-Base interactions energy: -792.413 where: short stacking energy: -381.965 Base-Backbone interact. energy: 0.018 local terms energy: -395.256572 where: bonds (distance) C4'-P energy: -69.206 bonds (distance) P-C4' energy: -72.569 flat angles C4'-P-C4' energy: -80.269 flat angles P-C4'-P energy: -60.127 tors. eta vs tors. theta energy: -113.086 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: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1088.455196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.455196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.455196 (E_RNA) where: Base-Base interactions energy: -732.502 where: short stacking energy: -352.190 Base-Backbone interact. energy: 0.561 local terms energy: -356.514154 where: bonds (distance) C4'-P energy: -62.364 bonds (distance) P-C4' energy: -61.983 flat angles C4'-P-C4' energy: -73.709 flat angles P-C4'-P energy: -57.146 tors. eta vs tors. theta energy: -101.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1144.251314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.251314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.251314 (E_RNA) where: Base-Base interactions energy: -774.783 where: short stacking energy: -354.531 Base-Backbone interact. energy: 1.295 local terms energy: -370.762731 where: bonds (distance) C4'-P energy: -69.669 bonds (distance) P-C4' energy: -66.728 flat angles C4'-P-C4' energy: -81.562 flat angles P-C4'-P energy: -44.392 tors. eta vs tors. theta energy: -108.411 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: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1024.769661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.769661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.769661 (E_RNA) where: Base-Base interactions energy: -673.360 where: short stacking energy: -331.024 Base-Backbone interact. energy: -0.210 local terms energy: -351.199404 where: bonds (distance) C4'-P energy: -61.010 bonds (distance) P-C4' energy: -65.030 flat angles C4'-P-C4' energy: -79.137 flat angles P-C4'-P energy: -45.849 tors. eta vs tors. theta energy: -100.174 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: 9 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -888.800906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.800906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.800906 (E_RNA) where: Base-Base interactions energy: -597.359 where: short stacking energy: -273.379 Base-Backbone interact. energy: 0.070 local terms energy: -291.512231 where: bonds (distance) C4'-P energy: -66.712 bonds (distance) P-C4' energy: -61.153 flat angles C4'-P-C4' energy: -63.021 flat angles P-C4'-P energy: -34.307 tors. eta vs tors. theta energy: -66.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -816.608545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.608545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.608545 (E_RNA) where: Base-Base interactions energy: -525.368 where: short stacking energy: -246.987 Base-Backbone interact. energy: -0.056 local terms energy: -291.184685 where: bonds (distance) C4'-P energy: -56.295 bonds (distance) P-C4' energy: -60.443 flat angles C4'-P-C4' energy: -66.854 flat angles P-C4'-P energy: -49.067 tors. eta vs tors. theta energy: -58.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -682.816349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.816349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.816349 (E_RNA) where: Base-Base interactions energy: -406.735 where: short stacking energy: -217.359 Base-Backbone interact. energy: 0.629 local terms energy: -276.709743 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -63.766 flat angles C4'-P-C4' energy: -56.916 flat angles P-C4'-P energy: -47.601 tors. eta vs tors. theta energy: -43.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -398.415217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.415217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.415217 (E_RNA) where: Base-Base interactions energy: -202.272 where: short stacking energy: -100.421 Base-Backbone interact. energy: 0.432 local terms energy: -196.574447 where: bonds (distance) C4'-P energy: -59.543 bonds (distance) P-C4' energy: -58.879 flat angles C4'-P-C4' energy: -48.490 flat angles P-C4'-P energy: -34.789 tors. eta vs tors. theta energy: 5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -321.970176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.970176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.970176 (E_RNA) where: Base-Base interactions energy: -126.902 where: short stacking energy: -117.892 Base-Backbone interact. energy: -0.114 local terms energy: -194.954239 where: bonds (distance) C4'-P energy: -50.472 bonds (distance) P-C4' energy: -62.272 flat angles C4'-P-C4' energy: -58.477 flat angles P-C4'-P energy: -20.995 tors. eta vs tors. theta energy: -2.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -392.694951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.694951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.694951 (E_RNA) where: Base-Base interactions energy: -197.076 where: short stacking energy: -98.473 Base-Backbone interact. energy: 2.022 local terms energy: -197.641042 where: bonds (distance) C4'-P energy: -58.937 bonds (distance) P-C4' energy: -60.778 flat angles C4'-P-C4' energy: -54.473 flat angles P-C4'-P energy: -29.189 tors. eta vs tors. theta energy: 5.737 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: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1180.296526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.296526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.296526 (E_RNA) where: Base-Base interactions energy: -804.422 where: short stacking energy: -357.493 Base-Backbone interact. energy: 2.707 local terms energy: -378.580691 where: bonds (distance) C4'-P energy: -68.925 bonds (distance) P-C4' energy: -78.587 flat angles C4'-P-C4' energy: -76.060 flat angles P-C4'-P energy: -54.411 tors. eta vs tors. theta energy: -100.598 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: 4 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1069.356125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.356125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.356125 (E_RNA) where: Base-Base interactions energy: -703.999 where: short stacking energy: -345.324 Base-Backbone interact. energy: -0.712 local terms energy: -364.645367 where: bonds (distance) C4'-P energy: -72.679 bonds (distance) P-C4' energy: -67.916 flat angles C4'-P-C4' energy: -76.491 flat angles P-C4'-P energy: -53.338 tors. eta vs tors. theta energy: -94.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1140.493382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.493382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.493382 (E_RNA) where: Base-Base interactions energy: -788.717 where: short stacking energy: -352.875 Base-Backbone interact. energy: -1.296 local terms energy: -350.480391 where: bonds (distance) C4'-P energy: -58.890 bonds (distance) P-C4' energy: -64.208 flat angles C4'-P-C4' energy: -78.005 flat angles P-C4'-P energy: -46.397 tors. eta vs tors. theta energy: -102.981 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: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1035.141688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.141688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.141688 (E_RNA) where: Base-Base interactions energy: -685.224 where: short stacking energy: -312.006 Base-Backbone interact. energy: -0.509 local terms energy: -349.409034 where: bonds (distance) C4'-P energy: -70.423 bonds (distance) P-C4' energy: -65.387 flat angles C4'-P-C4' energy: -75.635 flat angles P-C4'-P energy: -40.585 tors. eta vs tors. theta energy: -97.379 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: 9 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -916.566521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.566521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.566521 (E_RNA) where: Base-Base interactions energy: -585.250 where: short stacking energy: -284.552 Base-Backbone interact. energy: 2.230 local terms energy: -333.546377 where: bonds (distance) C4'-P energy: -65.380 bonds (distance) P-C4' energy: -66.345 flat angles C4'-P-C4' energy: -81.716 flat angles P-C4'-P energy: -45.920 tors. eta vs tors. theta energy: -74.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -814.022511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.022511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.022511 (E_RNA) where: Base-Base interactions energy: -507.667 where: short stacking energy: -248.326 Base-Backbone interact. energy: 0.221 local terms energy: -306.576516 where: bonds (distance) C4'-P energy: -75.351 bonds (distance) P-C4' energy: -66.535 flat angles C4'-P-C4' energy: -68.529 flat angles P-C4'-P energy: -44.797 tors. eta vs tors. theta energy: -51.363 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: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -669.577682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.577682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.577682 (E_RNA) where: Base-Base interactions energy: -384.116 where: short stacking energy: -203.835 Base-Backbone interact. energy: 0.160 local terms energy: -285.620934 where: bonds (distance) C4'-P energy: -61.882 bonds (distance) P-C4' energy: -63.982 flat angles C4'-P-C4' energy: -64.617 flat angles P-C4'-P energy: -44.931 tors. eta vs tors. theta energy: -50.209 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: 8, replica: 10 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -410.188970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.188970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.188970 (E_RNA) where: Base-Base interactions energy: -227.539 where: short stacking energy: -127.426 Base-Backbone interact. energy: 0.311 local terms energy: -182.960578 where: bonds (distance) C4'-P energy: -28.926 bonds (distance) P-C4' energy: -63.652 flat angles C4'-P-C4' energy: -46.715 flat angles P-C4'-P energy: -35.759 tors. eta vs tors. theta energy: -7.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -384.427797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.427797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.427797 (E_RNA) where: Base-Base interactions energy: -180.921 where: short stacking energy: -111.074 Base-Backbone interact. energy: -0.853 local terms energy: -202.654057 where: bonds (distance) C4'-P energy: -48.196 bonds (distance) P-C4' energy: -65.076 flat angles C4'-P-C4' energy: -43.838 flat angles P-C4'-P energy: -41.526 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -281.522128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.522128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.522128 (E_RNA) where: Base-Base interactions energy: -88.660 where: short stacking energy: -69.650 Base-Backbone interact. energy: 0.252 local terms energy: -193.113754 where: bonds (distance) C4'-P energy: -59.101 bonds (distance) P-C4' energy: -58.115 flat angles C4'-P-C4' energy: -45.331 flat angles P-C4'-P energy: -34.664 tors. eta vs tors. theta energy: 4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1183.886615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.886615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.886615 (E_RNA) where: Base-Base interactions energy: -802.916 where: short stacking energy: -360.552 Base-Backbone interact. energy: -1.505 local terms energy: -379.465052 where: bonds (distance) C4'-P energy: -70.347 bonds (distance) P-C4' energy: -72.289 flat angles C4'-P-C4' energy: -79.440 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -103.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1150.912776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.912776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.912776 (E_RNA) where: Base-Base interactions energy: -792.959 where: short stacking energy: -368.986 Base-Backbone interact. energy: -2.212 local terms energy: -355.741553 where: bonds (distance) C4'-P energy: -62.112 bonds (distance) P-C4' energy: -68.341 flat angles C4'-P-C4' energy: -70.777 flat angles P-C4'-P energy: -50.851 tors. eta vs tors. theta energy: -103.660 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: 4 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1061.373179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.373179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.373179 (E_RNA) where: Base-Base interactions energy: -716.779 where: short stacking energy: -342.722 Base-Backbone interact. energy: 2.026 local terms energy: -346.620547 where: bonds (distance) C4'-P energy: -59.523 bonds (distance) P-C4' energy: -62.317 flat angles C4'-P-C4' energy: -68.915 flat angles P-C4'-P energy: -52.030 tors. eta vs tors. theta energy: -103.836 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: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1000.395045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.395045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.395045 (E_RNA) where: Base-Base interactions energy: -667.705 where: short stacking energy: -313.320 Base-Backbone interact. energy: 1.426 local terms energy: -334.116662 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -64.590 flat angles C4'-P-C4' energy: -74.065 flat angles P-C4'-P energy: -37.319 tors. eta vs tors. theta energy: -100.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -934.026083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.026083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.026083 (E_RNA) where: Base-Base interactions energy: -597.222 where: short stacking energy: -281.746 Base-Backbone interact. energy: -0.225 local terms energy: -336.579865 where: bonds (distance) C4'-P energy: -66.462 bonds (distance) P-C4' energy: -78.731 flat angles C4'-P-C4' energy: -73.353 flat angles P-C4'-P energy: -39.931 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: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -830.786351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.786351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.786351 (E_RNA) where: Base-Base interactions energy: -535.729 where: short stacking energy: -269.497 Base-Backbone interact. energy: -0.474 local terms energy: -294.583070 where: bonds (distance) C4'-P energy: -57.024 bonds (distance) P-C4' energy: -67.725 flat angles C4'-P-C4' energy: -65.962 flat angles P-C4'-P energy: -30.968 tors. eta vs tors. theta energy: -72.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -681.351754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.351754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.351754 (E_RNA) where: Base-Base interactions energy: -428.209 where: short stacking energy: -223.607 Base-Backbone interact. energy: 2.642 local terms energy: -255.785189 where: bonds (distance) C4'-P energy: -50.847 bonds (distance) P-C4' energy: -60.216 flat angles C4'-P-C4' energy: -56.578 flat angles P-C4'-P energy: -35.122 tors. eta vs tors. theta energy: -53.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -470.850262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.850262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.850262 (E_RNA) where: Base-Base interactions energy: -240.059 where: short stacking energy: -141.440 Base-Backbone interact. energy: -0.644 local terms energy: -230.147248 where: bonds (distance) C4'-P energy: -54.758 bonds (distance) P-C4' energy: -69.731 flat angles C4'-P-C4' energy: -59.044 flat angles P-C4'-P energy: -34.298 tors. eta vs tors. theta energy: -12.317 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: 10 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -393.470628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.470628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.470628 (E_RNA) where: Base-Base interactions energy: -198.620 where: short stacking energy: -130.554 Base-Backbone interact. energy: 4.975 local terms energy: -199.825339 where: bonds (distance) C4'-P energy: -53.978 bonds (distance) P-C4' energy: -57.060 flat angles C4'-P-C4' energy: -53.728 flat angles P-C4'-P energy: -31.557 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -285.117473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.117473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.117473 (E_RNA) where: Base-Base interactions energy: -103.163 where: short stacking energy: -76.153 Base-Backbone interact. energy: -0.606 local terms energy: -181.348451 where: bonds (distance) C4'-P energy: -49.389 bonds (distance) P-C4' energy: -67.922 flat angles C4'-P-C4' energy: -48.707 flat angles P-C4'-P energy: -19.958 tors. eta vs tors. theta energy: 4.629 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: 1, replica: 1 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1197.229406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.229406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.229406 (E_RNA) where: Base-Base interactions energy: -810.812 where: short stacking energy: -386.902 Base-Backbone interact. energy: -0.590 local terms energy: -385.828004 where: bonds (distance) C4'-P energy: -62.356 bonds (distance) P-C4' energy: -72.248 flat angles C4'-P-C4' energy: -85.016 flat angles P-C4'-P energy: -57.889 tors. eta vs tors. theta energy: -108.319 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: 8 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1148.390113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.390113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.390113 (E_RNA) where: Base-Base interactions energy: -794.961 where: short stacking energy: -355.190 Base-Backbone interact. energy: -1.399 local terms energy: -352.029405 where: bonds (distance) C4'-P energy: -62.975 bonds (distance) P-C4' energy: -73.474 flat angles C4'-P-C4' energy: -75.722 flat angles P-C4'-P energy: -38.831 tors. eta vs tors. theta energy: -101.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1030.829901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.829901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.829901 (E_RNA) where: Base-Base interactions energy: -681.644 where: short stacking energy: -332.986 Base-Backbone interact. energy: -0.802 local terms energy: -348.383704 where: bonds (distance) C4'-P energy: -72.455 bonds (distance) P-C4' energy: -49.035 flat angles C4'-P-C4' energy: -76.422 flat angles P-C4'-P energy: -51.246 tors. eta vs tors. theta energy: -99.225 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: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -997.906396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.906396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.906396 (E_RNA) where: Base-Base interactions energy: -648.631 where: short stacking energy: -313.737 Base-Backbone interact. energy: -0.556 local terms energy: -348.718678 where: bonds (distance) C4'-P energy: -63.694 bonds (distance) P-C4' energy: -70.212 flat angles C4'-P-C4' energy: -71.948 flat angles P-C4'-P energy: -51.283 tors. eta vs tors. theta energy: -91.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -918.195539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.195539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.195539 (E_RNA) where: Base-Base interactions energy: -604.332 where: short stacking energy: -288.532 Base-Backbone interact. energy: 2.516 local terms energy: -316.379937 where: bonds (distance) C4'-P energy: -66.246 bonds (distance) P-C4' energy: -71.366 flat angles C4'-P-C4' energy: -55.256 flat angles P-C4'-P energy: -42.132 tors. eta vs tors. theta energy: -81.381 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: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -824.877050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.877050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.877050 (E_RNA) where: Base-Base interactions energy: -536.232 where: short stacking energy: -260.116 Base-Backbone interact. energy: -1.331 local terms energy: -287.314302 where: bonds (distance) C4'-P energy: -44.730 bonds (distance) P-C4' energy: -68.990 flat angles C4'-P-C4' energy: -67.577 flat angles P-C4'-P energy: -46.016 tors. eta vs tors. theta energy: -60.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -667.532549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.532549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.532549 (E_RNA) where: Base-Base interactions energy: -401.650 where: short stacking energy: -216.370 Base-Backbone interact. energy: -0.579 local terms energy: -265.303936 where: bonds (distance) C4'-P energy: -58.821 bonds (distance) P-C4' energy: -60.439 flat angles C4'-P-C4' energy: -64.651 flat angles P-C4'-P energy: -35.505 tors. eta vs tors. theta energy: -45.888 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: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -488.145394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.145394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.145394 (E_RNA) where: Base-Base interactions energy: -264.790 where: short stacking energy: -145.395 Base-Backbone interact. energy: 0.499 local terms energy: -223.854396 where: bonds (distance) C4'-P energy: -58.092 bonds (distance) P-C4' energy: -60.366 flat angles C4'-P-C4' energy: -60.494 flat angles P-C4'-P energy: -34.121 tors. eta vs tors. theta energy: -10.780 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: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -377.416691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.416691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.416691 (E_RNA) where: Base-Base interactions energy: -173.251 where: short stacking energy: -119.037 Base-Backbone interact. energy: -1.023 local terms energy: -203.143300 where: bonds (distance) C4'-P energy: -39.125 bonds (distance) P-C4' energy: -62.646 flat angles C4'-P-C4' energy: -55.001 flat angles P-C4'-P energy: -36.330 tors. eta vs tors. theta energy: -10.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -276.224956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.224956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.224956 (E_RNA) where: Base-Base interactions energy: -100.819 where: short stacking energy: -86.636 Base-Backbone interact. energy: 2.298 local terms energy: -177.703779 where: bonds (distance) C4'-P energy: -41.795 bonds (distance) P-C4' energy: -62.052 flat angles C4'-P-C4' energy: -44.287 flat angles P-C4'-P energy: -31.411 tors. eta vs tors. theta energy: 1.841 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: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1184.835125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.835125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.835125 (E_RNA) where: Base-Base interactions energy: -789.819 where: short stacking energy: -365.943 Base-Backbone interact. energy: -0.345 local terms energy: -394.671293 where: bonds (distance) C4'-P energy: -76.696 bonds (distance) P-C4' energy: -75.097 flat angles C4'-P-C4' energy: -75.751 flat angles P-C4'-P energy: -62.919 tors. eta vs tors. theta energy: -104.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1127.125706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.125706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.125706 (E_RNA) where: Base-Base interactions energy: -767.560 where: short stacking energy: -350.328 Base-Backbone interact. energy: -1.500 local terms energy: -358.065380 where: bonds (distance) C4'-P energy: -58.407 bonds (distance) P-C4' energy: -70.795 flat angles C4'-P-C4' energy: -79.879 flat angles P-C4'-P energy: -53.753 tors. eta vs tors. theta energy: -95.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1021.737444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.737444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.737444 (E_RNA) where: Base-Base interactions energy: -681.430 where: short stacking energy: -325.714 Base-Backbone interact. energy: -1.088 local terms energy: -339.220027 where: bonds (distance) C4'-P energy: -60.456 bonds (distance) P-C4' energy: -67.617 flat angles C4'-P-C4' energy: -75.491 flat angles P-C4'-P energy: -53.307 tors. eta vs tors. theta energy: -82.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -952.427402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.427402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.427402 (E_RNA) where: Base-Base interactions energy: -618.283 where: short stacking energy: -311.460 Base-Backbone interact. energy: -0.035 local terms energy: -334.109994 where: bonds (distance) C4'-P energy: -69.338 bonds (distance) P-C4' energy: -58.167 flat angles C4'-P-C4' energy: -70.329 flat angles P-C4'-P energy: -46.093 tors. eta vs tors. theta energy: -90.183 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: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -975.275014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.275014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.275014 (E_RNA) where: Base-Base interactions energy: -643.373 where: short stacking energy: -292.858 Base-Backbone interact. energy: -1.522 local terms energy: -330.379604 where: bonds (distance) C4'-P energy: -56.687 bonds (distance) P-C4' energy: -63.284 flat angles C4'-P-C4' energy: -72.259 flat angles P-C4'-P energy: -40.930 tors. eta vs tors. theta energy: -97.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -831.225892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.225892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.225892 (E_RNA) where: Base-Base interactions energy: -538.155 where: short stacking energy: -248.188 Base-Backbone interact. energy: 0.079 local terms energy: -293.149248 where: bonds (distance) C4'-P energy: -69.489 bonds (distance) P-C4' energy: -61.850 flat angles C4'-P-C4' energy: -63.385 flat angles P-C4'-P energy: -31.339 tors. eta vs tors. theta energy: -67.087 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: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -636.287808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.287808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.287808 (E_RNA) where: Base-Base interactions energy: -381.230 where: short stacking energy: -219.749 Base-Backbone interact. energy: -0.833 local terms energy: -254.225143 where: bonds (distance) C4'-P energy: -58.198 bonds (distance) P-C4' energy: -54.338 flat angles C4'-P-C4' energy: -57.185 flat angles P-C4'-P energy: -35.033 tors. eta vs tors. theta energy: -49.470 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: 2 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -515.063885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.063885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.063885 (E_RNA) where: Base-Base interactions energy: -271.884 where: short stacking energy: -147.106 Base-Backbone interact. energy: -1.725 local terms energy: -241.455231 where: bonds (distance) C4'-P energy: -62.088 bonds (distance) P-C4' energy: -60.854 flat angles C4'-P-C4' energy: -58.164 flat angles P-C4'-P energy: -39.432 tors. eta vs tors. theta energy: -20.917 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: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -366.808408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.808408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.808408 (E_RNA) where: Base-Base interactions energy: -157.025 where: short stacking energy: -102.849 Base-Backbone interact. energy: -1.787 local terms energy: -207.996552 where: bonds (distance) C4'-P energy: -49.002 bonds (distance) P-C4' energy: -57.696 flat angles C4'-P-C4' energy: -51.309 flat angles P-C4'-P energy: -36.261 tors. eta vs tors. theta energy: -13.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -279.418673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.418673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.418673 (E_RNA) where: Base-Base interactions energy: -109.597 where: short stacking energy: -91.564 Base-Backbone interact. energy: -0.903 local terms energy: -168.918349 where: bonds (distance) C4'-P energy: -47.550 bonds (distance) P-C4' energy: -50.117 flat angles C4'-P-C4' energy: -48.950 flat angles P-C4'-P energy: -28.610 tors. eta vs tors. theta energy: 6.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1170.778126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.778126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.778126 (E_RNA) where: Base-Base interactions energy: -789.585 where: short stacking energy: -369.012 Base-Backbone interact. energy: 1.162 local terms energy: -382.355036 where: bonds (distance) C4'-P energy: -65.748 bonds (distance) P-C4' energy: -71.468 flat angles C4'-P-C4' energy: -82.323 flat angles P-C4'-P energy: -54.560 tors. eta vs tors. theta energy: -108.257 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: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1132.606778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.606778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.606778 (E_RNA) where: Base-Base interactions energy: -760.403 where: short stacking energy: -345.099 Base-Backbone interact. energy: 0.751 local terms energy: -372.954974 where: bonds (distance) C4'-P energy: -75.805 bonds (distance) P-C4' energy: -65.770 flat angles C4'-P-C4' energy: -79.270 flat angles P-C4'-P energy: -48.948 tors. eta vs tors. theta energy: -103.161 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: 4 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1051.314278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.314278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.314278 (E_RNA) where: Base-Base interactions energy: -700.889 where: short stacking energy: -338.686 Base-Backbone interact. energy: -0.643 local terms energy: -349.782343 where: bonds (distance) C4'-P energy: -57.137 bonds (distance) P-C4' energy: -71.344 flat angles C4'-P-C4' energy: -71.674 flat angles P-C4'-P energy: -43.990 tors. eta vs tors. theta energy: -105.638 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: 9 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -937.505015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.505015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.505015 (E_RNA) where: Base-Base interactions energy: -590.972 where: short stacking energy: -284.896 Base-Backbone interact. energy: -1.389 local terms energy: -345.144571 where: bonds (distance) C4'-P energy: -69.678 bonds (distance) P-C4' energy: -74.917 flat angles C4'-P-C4' energy: -76.245 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -76.811 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: 3 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -987.766898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.766898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.766898 (E_RNA) where: Base-Base interactions energy: -663.900 where: short stacking energy: -297.570 Base-Backbone interact. energy: 1.139 local terms energy: -325.005608 where: bonds (distance) C4'-P energy: -63.382 bonds (distance) P-C4' energy: -66.205 flat angles C4'-P-C4' energy: -64.367 flat angles P-C4'-P energy: -48.340 tors. eta vs tors. theta energy: -82.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -835.618922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.618922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.618922 (E_RNA) where: Base-Base interactions energy: -558.647 where: short stacking energy: -258.538 Base-Backbone interact. energy: -1.307 local terms energy: -275.664937 where: bonds (distance) C4'-P energy: -39.640 bonds (distance) P-C4' energy: -70.469 flat angles C4'-P-C4' energy: -60.497 flat angles P-C4'-P energy: -45.220 tors. eta vs tors. theta energy: -59.838 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: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -700.215278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.215278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.215278 (E_RNA) where: Base-Base interactions energy: -407.486 where: short stacking energy: -224.773 Base-Backbone interact. energy: 0.031 local terms energy: -292.759720 where: bonds (distance) C4'-P energy: -70.736 bonds (distance) P-C4' energy: -62.224 flat angles C4'-P-C4' energy: -65.402 flat angles P-C4'-P energy: -44.811 tors. eta vs tors. theta energy: -49.587 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: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -550.509483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.509483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.509483 (E_RNA) where: Base-Base interactions energy: -302.382 where: short stacking energy: -153.966 Base-Backbone interact. energy: 0.048 local terms energy: -248.176078 where: bonds (distance) C4'-P energy: -62.018 bonds (distance) P-C4' energy: -62.467 flat angles C4'-P-C4' energy: -59.410 flat angles P-C4'-P energy: -40.596 tors. eta vs tors. theta energy: -23.685 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: 10 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -341.603196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.603196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.603196 (E_RNA) where: Base-Base interactions energy: -137.220 where: short stacking energy: -92.319 Base-Backbone interact. energy: 0.132 local terms energy: -204.515561 where: bonds (distance) C4'-P energy: -61.092 bonds (distance) P-C4' energy: -56.620 flat angles C4'-P-C4' energy: -51.908 flat angles P-C4'-P energy: -31.952 tors. eta vs tors. theta energy: -2.945 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: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -287.489788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.489788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.489788 (E_RNA) where: Base-Base interactions energy: -113.104 where: short stacking energy: -81.598 Base-Backbone interact. energy: -0.662 local terms energy: -173.724581 where: bonds (distance) C4'-P energy: -55.594 bonds (distance) P-C4' energy: -52.718 flat angles C4'-P-C4' energy: -37.070 flat angles P-C4'-P energy: -27.997 tors. eta vs tors. theta energy: -0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1176.143941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.143941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.143941 (E_RNA) where: Base-Base interactions energy: -788.460 where: short stacking energy: -362.222 Base-Backbone interact. energy: 0.377 local terms energy: -388.061508 where: bonds (distance) C4'-P energy: -63.648 bonds (distance) P-C4' energy: -75.516 flat angles C4'-P-C4' energy: -81.892 flat angles P-C4'-P energy: -60.703 tors. eta vs tors. theta energy: -106.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1121.120704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.120704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.120704 (E_RNA) where: Base-Base interactions energy: -739.512 where: short stacking energy: -343.325 Base-Backbone interact. energy: -1.354 local terms energy: -380.254422 where: bonds (distance) C4'-P energy: -68.746 bonds (distance) P-C4' energy: -78.571 flat angles C4'-P-C4' energy: -77.050 flat angles P-C4'-P energy: -57.435 tors. eta vs tors. theta energy: -98.453 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: 4 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1064.391348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.391348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.391348 (E_RNA) where: Base-Base interactions energy: -691.502 where: short stacking energy: -322.607 Base-Backbone interact. energy: -0.879 local terms energy: -372.009757 where: bonds (distance) C4'-P energy: -64.597 bonds (distance) P-C4' energy: -75.702 flat angles C4'-P-C4' energy: -77.623 flat angles P-C4'-P energy: -54.968 tors. eta vs tors. theta energy: -99.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -997.066880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.066880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.066880 (E_RNA) where: Base-Base interactions energy: -655.823 where: short stacking energy: -311.520 Base-Backbone interact. energy: -1.404 local terms energy: -339.840538 where: bonds (distance) C4'-P energy: -72.326 bonds (distance) P-C4' energy: -67.826 flat angles C4'-P-C4' energy: -73.588 flat angles P-C4'-P energy: -44.048 tors. eta vs tors. theta energy: -82.053 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: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -894.079677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.079677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.079677 (E_RNA) where: Base-Base interactions energy: -601.118 where: short stacking energy: -269.847 Base-Backbone interact. energy: -0.699 local terms energy: -292.262675 where: bonds (distance) C4'-P energy: -59.630 bonds (distance) P-C4' energy: -55.435 flat angles C4'-P-C4' energy: -73.599 flat angles P-C4'-P energy: -45.945 tors. eta vs tors. theta energy: -57.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -886.307381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.307381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.307381 (E_RNA) where: Base-Base interactions energy: -589.583 where: short stacking energy: -270.793 Base-Backbone interact. energy: 7.532 local terms energy: -304.256157 where: bonds (distance) C4'-P energy: -57.499 bonds (distance) P-C4' energy: -71.212 flat angles C4'-P-C4' energy: -58.658 flat angles P-C4'-P energy: -49.909 tors. eta vs tors. theta energy: -66.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -659.627024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.627024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.627024 (E_RNA) where: Base-Base interactions energy: -390.355 where: short stacking energy: -203.334 Base-Backbone interact. energy: -1.230 local terms energy: -268.042497 where: bonds (distance) C4'-P energy: -59.232 bonds (distance) P-C4' energy: -67.160 flat angles C4'-P-C4' energy: -70.225 flat angles P-C4'-P energy: -34.180 tors. eta vs tors. theta energy: -37.246 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: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -574.551497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.551497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.551497 (E_RNA) where: Base-Base interactions energy: -327.935 where: short stacking energy: -148.539 Base-Backbone interact. energy: 0.403 local terms energy: -247.019411 where: bonds (distance) C4'-P energy: -58.314 bonds (distance) P-C4' energy: -71.652 flat angles C4'-P-C4' energy: -55.403 flat angles P-C4'-P energy: -47.582 tors. eta vs tors. theta energy: -14.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -332.149200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.149200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.149200 (E_RNA) where: Base-Base interactions energy: -152.354 where: short stacking energy: -82.991 Base-Backbone interact. energy: -0.393 local terms energy: -179.402253 where: bonds (distance) C4'-P energy: -50.412 bonds (distance) P-C4' energy: -66.791 flat angles C4'-P-C4' energy: -55.049 flat angles P-C4'-P energy: -22.133 tors. eta vs tors. theta energy: 14.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -282.926369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.926369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.926369 (E_RNA) where: Base-Base interactions energy: -89.188 where: short stacking energy: -85.671 Base-Backbone interact. energy: 1.070 local terms energy: -194.807791 where: bonds (distance) C4'-P energy: -48.898 bonds (distance) P-C4' energy: -69.027 flat angles C4'-P-C4' energy: -57.361 flat angles P-C4'-P energy: -36.106 tors. eta vs tors. theta energy: 16.584 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: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1179.156039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.156039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.156039 (E_RNA) where: Base-Base interactions energy: -789.278 where: short stacking energy: -385.841 Base-Backbone interact. energy: -0.842 local terms energy: -389.035897 where: bonds (distance) C4'-P energy: -78.121 bonds (distance) P-C4' energy: -67.634 flat angles C4'-P-C4' energy: -77.747 flat angles P-C4'-P energy: -51.111 tors. eta vs tors. theta energy: -114.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1104.008134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.008134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.008134 (E_RNA) where: Base-Base interactions energy: -750.894 where: short stacking energy: -337.792 Base-Backbone interact. energy: -1.446 local terms energy: -351.668444 where: bonds (distance) C4'-P energy: -66.763 bonds (distance) P-C4' energy: -63.560 flat angles C4'-P-C4' energy: -77.237 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -100.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1032.412908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.412908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.412908 (E_RNA) where: Base-Base interactions energy: -685.173 where: short stacking energy: -308.311 Base-Backbone interact. energy: -0.947 local terms energy: -346.292801 where: bonds (distance) C4'-P energy: -72.412 bonds (distance) P-C4' energy: -63.054 flat angles C4'-P-C4' energy: -72.706 flat angles P-C4'-P energy: -53.484 tors. eta vs tors. theta energy: -84.637 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: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1033.185955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.185955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.185955 (E_RNA) where: Base-Base interactions energy: -678.041 where: short stacking energy: -331.297 Base-Backbone interact. energy: 0.683 local terms energy: -355.828021 where: bonds (distance) C4'-P energy: -69.124 bonds (distance) P-C4' energy: -65.756 flat angles C4'-P-C4' energy: -77.448 flat angles P-C4'-P energy: -50.923 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: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -882.598317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.598317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.598317 (E_RNA) where: Base-Base interactions energy: -583.691 where: short stacking energy: -273.931 Base-Backbone interact. energy: -0.778 local terms energy: -298.129550 where: bonds (distance) C4'-P energy: -64.112 bonds (distance) P-C4' energy: -59.516 flat angles C4'-P-C4' energy: -71.137 flat angles P-C4'-P energy: -37.457 tors. eta vs tors. theta energy: -65.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -825.221430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.221430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.221430 (E_RNA) where: Base-Base interactions energy: -542.114 where: short stacking energy: -241.338 Base-Backbone interact. energy: -2.065 local terms energy: -281.042165 where: bonds (distance) C4'-P energy: -57.986 bonds (distance) P-C4' energy: -64.408 flat angles C4'-P-C4' energy: -56.891 flat angles P-C4'-P energy: -43.995 tors. eta vs tors. theta energy: -57.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -677.647538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.647538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.647538 (E_RNA) where: Base-Base interactions energy: -425.930 where: short stacking energy: -208.974 Base-Backbone interact. energy: 2.823 local terms energy: -254.540779 where: bonds (distance) C4'-P energy: -50.953 bonds (distance) P-C4' energy: -56.235 flat angles C4'-P-C4' energy: -58.760 flat angles P-C4'-P energy: -46.718 tors. eta vs tors. theta energy: -41.875 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: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -493.631851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.631851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.631851 (E_RNA) where: Base-Base interactions energy: -257.766 where: short stacking energy: -140.368 Base-Backbone interact. energy: 1.865 local terms energy: -237.730986 where: bonds (distance) C4'-P energy: -58.546 bonds (distance) P-C4' energy: -60.770 flat angles C4'-P-C4' energy: -59.935 flat angles P-C4'-P energy: -40.625 tors. eta vs tors. theta energy: -17.855 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: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -357.873843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.873843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.873843 (E_RNA) where: Base-Base interactions energy: -168.341 where: short stacking energy: -93.694 Base-Backbone interact. energy: 2.623 local terms energy: -192.155592 where: bonds (distance) C4'-P energy: -78.088 bonds (distance) P-C4' energy: -55.304 flat angles C4'-P-C4' energy: -38.993 flat angles P-C4'-P energy: -27.582 tors. eta vs tors. theta energy: 7.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -291.223220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.223220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.223220 (E_RNA) where: Base-Base interactions energy: -124.025 where: short stacking energy: -94.627 Base-Backbone interact. energy: 5.654 local terms energy: -172.852560 where: bonds (distance) C4'-P energy: -55.822 bonds (distance) P-C4' energy: -55.436 flat angles C4'-P-C4' energy: -43.561 flat angles P-C4'-P energy: -30.457 tors. eta vs tors. theta energy: 12.424 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: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1190.431484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.431484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.431484 (E_RNA) where: Base-Base interactions energy: -800.258 where: short stacking energy: -362.621 Base-Backbone interact. energy: 0.755 local terms energy: -390.928689 where: bonds (distance) C4'-P energy: -62.867 bonds (distance) P-C4' energy: -87.021 flat angles C4'-P-C4' energy: -77.640 flat angles P-C4'-P energy: -54.393 tors. eta vs tors. theta energy: -109.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1122.695527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.695527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.695527 (E_RNA) where: Base-Base interactions energy: -751.947 where: short stacking energy: -342.849 Base-Backbone interact. energy: -3.155 local terms energy: -367.593737 where: bonds (distance) C4'-P energy: -77.097 bonds (distance) P-C4' energy: -71.903 flat angles C4'-P-C4' energy: -78.036 flat angles P-C4'-P energy: -43.339 tors. eta vs tors. theta energy: -97.218 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: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1020.415879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.415879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.415879 (E_RNA) where: Base-Base interactions energy: -671.864 where: short stacking energy: -318.235 Base-Backbone interact. energy: 2.676 local terms energy: -351.227935 where: bonds (distance) C4'-P energy: -67.805 bonds (distance) P-C4' energy: -65.181 flat angles C4'-P-C4' energy: -78.376 flat angles P-C4'-P energy: -48.556 tors. eta vs tors. theta energy: -91.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1023.568836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.568836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.568836 (E_RNA) where: Base-Base interactions energy: -667.216 where: short stacking energy: -310.425 Base-Backbone interact. energy: -0.438 local terms energy: -355.915242 where: bonds (distance) C4'-P energy: -65.450 bonds (distance) P-C4' energy: -80.373 flat angles C4'-P-C4' energy: -75.119 flat angles P-C4'-P energy: -43.722 tors. eta vs tors. theta energy: -91.251 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: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -917.572863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.572863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.572863 (E_RNA) where: Base-Base interactions energy: -618.269 where: short stacking energy: -281.644 Base-Backbone interact. energy: -1.792 local terms energy: -297.511752 where: bonds (distance) C4'-P energy: -59.052 bonds (distance) P-C4' energy: -61.344 flat angles C4'-P-C4' energy: -61.851 flat angles P-C4'-P energy: -47.241 tors. eta vs tors. theta energy: -68.023 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: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -825.720257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.720257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.720257 (E_RNA) where: Base-Base interactions energy: -538.731 where: short stacking energy: -265.326 Base-Backbone interact. energy: -0.996 local terms energy: -285.993293 where: bonds (distance) C4'-P energy: -58.826 bonds (distance) P-C4' energy: -54.214 flat angles C4'-P-C4' energy: -71.974 flat angles P-C4'-P energy: -41.385 tors. eta vs tors. theta energy: -59.595 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: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -669.529475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.529475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.529475 (E_RNA) where: Base-Base interactions energy: -400.913 where: short stacking energy: -210.511 Base-Backbone interact. energy: 0.700 local terms energy: -269.315570 where: bonds (distance) C4'-P energy: -64.481 bonds (distance) P-C4' energy: -61.437 flat angles C4'-P-C4' energy: -55.618 flat angles P-C4'-P energy: -49.435 tors. eta vs tors. theta energy: -38.344 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: 2 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -522.281357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.281357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.281357 (E_RNA) where: Base-Base interactions energy: -274.327 where: short stacking energy: -155.445 Base-Backbone interact. energy: 2.462 local terms energy: -250.415637 where: bonds (distance) C4'-P energy: -60.622 bonds (distance) P-C4' energy: -57.054 flat angles C4'-P-C4' energy: -65.332 flat angles P-C4'-P energy: -37.292 tors. eta vs tors. theta energy: -30.116 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: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -378.191610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.191610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.191610 (E_RNA) where: Base-Base interactions energy: -159.656 where: short stacking energy: -124.773 Base-Backbone interact. energy: -0.616 local terms energy: -217.919180 where: bonds (distance) C4'-P energy: -53.333 bonds (distance) P-C4' energy: -57.477 flat angles C4'-P-C4' energy: -50.903 flat angles P-C4'-P energy: -44.607 tors. eta vs tors. theta energy: -11.599 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: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -270.402758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.402758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.402758 (E_RNA) where: Base-Base interactions energy: -81.015 where: short stacking energy: -77.179 Base-Backbone interact. energy: -1.494 local terms energy: -187.894370 where: bonds (distance) C4'-P energy: -68.277 bonds (distance) P-C4' energy: -46.410 flat angles C4'-P-C4' energy: -57.156 flat angles P-C4'-P energy: -29.101 tors. eta vs tors. theta energy: 13.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1141.282265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.282265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.282265 (E_RNA) where: Base-Base interactions energy: -776.992 where: short stacking energy: -347.328 Base-Backbone interact. energy: -2.424 local terms energy: -361.865690 where: bonds (distance) C4'-P energy: -70.601 bonds (distance) P-C4' energy: -68.235 flat angles C4'-P-C4' energy: -75.702 flat angles P-C4'-P energy: -47.990 tors. eta vs tors. theta energy: -99.338 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: 1 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1161.879040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.879040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.879040 (E_RNA) where: Base-Base interactions energy: -791.863 where: short stacking energy: -361.982 Base-Backbone interact. energy: -1.746 local terms energy: -368.270096 where: bonds (distance) C4'-P energy: -68.087 bonds (distance) P-C4' energy: -76.488 flat angles C4'-P-C4' energy: -75.535 flat angles P-C4'-P energy: -46.557 tors. eta vs tors. theta energy: -101.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1062.634424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.634424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.634424 (E_RNA) where: Base-Base interactions energy: -699.082 where: short stacking energy: -331.561 Base-Backbone interact. energy: -1.368 local terms energy: -362.183628 where: bonds (distance) C4'-P energy: -62.926 bonds (distance) P-C4' energy: -71.300 flat angles C4'-P-C4' energy: -78.011 flat angles P-C4'-P energy: -52.260 tors. eta vs tors. theta energy: -97.688 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: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1013.220765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.220765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.220765 (E_RNA) where: Base-Base interactions energy: -665.970 where: short stacking energy: -307.332 Base-Backbone interact. energy: -1.899 local terms energy: -345.352577 where: bonds (distance) C4'-P energy: -66.140 bonds (distance) P-C4' energy: -67.819 flat angles C4'-P-C4' energy: -77.026 flat angles P-C4'-P energy: -40.756 tors. eta vs tors. theta energy: -93.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -901.875801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.875801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.875801 (E_RNA) where: Base-Base interactions energy: -599.846 where: short stacking energy: -289.347 Base-Backbone interact. energy: -1.802 local terms energy: -300.227767 where: bonds (distance) C4'-P energy: -53.935 bonds (distance) P-C4' energy: -70.101 flat angles C4'-P-C4' energy: -73.642 flat angles P-C4'-P energy: -32.046 tors. eta vs tors. theta energy: -70.504 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: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -815.820785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.820785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.820785 (E_RNA) where: Base-Base interactions energy: -524.906 where: short stacking energy: -266.961 Base-Backbone interact. energy: -0.863 local terms energy: -290.051675 where: bonds (distance) C4'-P energy: -54.592 bonds (distance) P-C4' energy: -58.037 flat angles C4'-P-C4' energy: -72.851 flat angles P-C4'-P energy: -37.498 tors. eta vs tors. theta energy: -67.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -693.893084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.893084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.893084 (E_RNA) where: Base-Base interactions energy: -411.639 where: short stacking energy: -200.992 Base-Backbone interact. energy: -1.552 local terms energy: -280.702582 where: bonds (distance) C4'-P energy: -57.032 bonds (distance) P-C4' energy: -71.469 flat angles C4'-P-C4' energy: -55.999 flat angles P-C4'-P energy: -43.430 tors. eta vs tors. theta energy: -52.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -532.119904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.119904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.119904 (E_RNA) where: Base-Base interactions energy: -298.843 where: short stacking energy: -150.461 Base-Backbone interact. energy: -0.383 local terms energy: -232.894221 where: bonds (distance) C4'-P energy: -63.930 bonds (distance) P-C4' energy: -62.916 flat angles C4'-P-C4' energy: -65.607 flat angles P-C4'-P energy: -21.677 tors. eta vs tors. theta energy: -18.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -346.992445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.992445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.992445 (E_RNA) where: Base-Base interactions energy: -166.660 where: short stacking energy: -91.343 Base-Backbone interact. energy: -1.552 local terms energy: -178.780046 where: bonds (distance) C4'-P energy: -45.811 bonds (distance) P-C4' energy: -58.573 flat angles C4'-P-C4' energy: -49.639 flat angles P-C4'-P energy: -23.750 tors. eta vs tors. theta energy: -1.008 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: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -293.412455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.412455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.412455 (E_RNA) where: Base-Base interactions energy: -97.709 where: short stacking energy: -87.917 Base-Backbone interact. energy: -0.048 local terms energy: -195.655597 where: bonds (distance) C4'-P energy: -46.117 bonds (distance) P-C4' energy: -64.687 flat angles C4'-P-C4' energy: -53.333 flat angles P-C4'-P energy: -27.862 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1143.166292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.166292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.166292 (E_RNA) where: Base-Base interactions energy: -772.934 where: short stacking energy: -333.277 Base-Backbone interact. energy: -2.320 local terms energy: -367.912080 where: bonds (distance) C4'-P energy: -72.861 bonds (distance) P-C4' energy: -67.293 flat angles C4'-P-C4' energy: -74.329 flat angles P-C4'-P energy: -50.653 tors. eta vs tors. theta energy: -102.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1153.661876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.661876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.661876 (E_RNA) where: Base-Base interactions energy: -785.123 where: short stacking energy: -374.359 Base-Backbone interact. energy: -0.580 local terms energy: -367.958828 where: bonds (distance) C4'-P energy: -62.424 bonds (distance) P-C4' energy: -66.259 flat angles C4'-P-C4' energy: -75.377 flat angles P-C4'-P energy: -58.739 tors. eta vs tors. theta energy: -105.160 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: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1044.146524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.146524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.146524 (E_RNA) where: Base-Base interactions energy: -691.983 where: short stacking energy: -323.144 Base-Backbone interact. energy: 0.389 local terms energy: -352.552779 where: bonds (distance) C4'-P energy: -58.265 bonds (distance) P-C4' energy: -69.755 flat angles C4'-P-C4' energy: -70.029 flat angles P-C4'-P energy: -57.158 tors. eta vs tors. theta energy: -97.346 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: 4, replica: 4 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1012.485567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.485567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.485567 (E_RNA) where: Base-Base interactions energy: -652.718 where: short stacking energy: -305.165 Base-Backbone interact. energy: -0.448 local terms energy: -359.320131 where: bonds (distance) C4'-P energy: -71.933 bonds (distance) P-C4' energy: -74.492 flat angles C4'-P-C4' energy: -70.968 flat angles P-C4'-P energy: -47.741 tors. eta vs tors. theta energy: -94.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -879.171218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.171218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.171218 (E_RNA) where: Base-Base interactions energy: -588.029 where: short stacking energy: -262.039 Base-Backbone interact. energy: -2.119 local terms energy: -289.023556 where: bonds (distance) C4'-P energy: -56.998 bonds (distance) P-C4' energy: -61.174 flat angles C4'-P-C4' energy: -64.676 flat angles P-C4'-P energy: -40.924 tors. eta vs tors. theta energy: -65.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -826.891976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.891976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.891976 (E_RNA) where: Base-Base interactions energy: -538.680 where: short stacking energy: -268.895 Base-Backbone interact. energy: -0.107 local terms energy: -288.104890 where: bonds (distance) C4'-P energy: -55.592 bonds (distance) P-C4' energy: -71.527 flat angles C4'-P-C4' energy: -51.979 flat angles P-C4'-P energy: -43.139 tors. eta vs tors. theta energy: -65.868 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: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -682.520260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.520260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.520260 (E_RNA) where: Base-Base interactions energy: -415.546 where: short stacking energy: -208.517 Base-Backbone interact. energy: -0.923 local terms energy: -266.051205 where: bonds (distance) C4'-P energy: -54.067 bonds (distance) P-C4' energy: -64.743 flat angles C4'-P-C4' energy: -60.027 flat angles P-C4'-P energy: -36.119 tors. eta vs tors. theta energy: -51.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -528.909513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.909513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.909513 (E_RNA) where: Base-Base interactions energy: -324.061 where: short stacking energy: -166.021 Base-Backbone interact. energy: 0.082 local terms energy: -204.930577 where: bonds (distance) C4'-P energy: -55.131 bonds (distance) P-C4' energy: -59.241 flat angles C4'-P-C4' energy: -55.796 flat angles P-C4'-P energy: -20.587 tors. eta vs tors. theta energy: -14.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -347.146781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.146781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.146781 (E_RNA) where: Base-Base interactions energy: -150.501 where: short stacking energy: -107.166 Base-Backbone interact. energy: -0.841 local terms energy: -195.804582 where: bonds (distance) C4'-P energy: -56.422 bonds (distance) P-C4' energy: -62.857 flat angles C4'-P-C4' energy: -46.556 flat angles P-C4'-P energy: -35.469 tors. eta vs tors. theta energy: 5.500 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: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -255.856952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.856952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.856952 (E_RNA) where: Base-Base interactions energy: -81.250 where: short stacking energy: -72.612 Base-Backbone interact. energy: 8.004 local terms energy: -182.610281 where: bonds (distance) C4'-P energy: -44.992 bonds (distance) P-C4' energy: -66.481 flat angles C4'-P-C4' energy: -52.716 flat angles P-C4'-P energy: -33.406 tors. eta vs tors. theta energy: 14.984 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: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1182.725662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.725662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.725662 (E_RNA) where: Base-Base interactions energy: -794.147 where: short stacking energy: -372.750 Base-Backbone interact. energy: -1.119 local terms energy: -387.459501 where: bonds (distance) C4'-P energy: -74.364 bonds (distance) P-C4' energy: -70.270 flat angles C4'-P-C4' energy: -78.397 flat angles P-C4'-P energy: -56.334 tors. eta vs tors. theta energy: -108.095 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: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1092.422219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.422219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.422219 (E_RNA) where: Base-Base interactions energy: -752.865 where: short stacking energy: -330.902 Base-Backbone interact. energy: -0.693 local terms energy: -338.864099 where: bonds (distance) C4'-P energy: -60.181 bonds (distance) P-C4' energy: -64.643 flat angles C4'-P-C4' energy: -73.695 flat angles P-C4'-P energy: -38.920 tors. eta vs tors. theta energy: -101.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1059.687227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.687227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.687227 (E_RNA) where: Base-Base interactions energy: -726.882 where: short stacking energy: -342.602 Base-Backbone interact. energy: -0.703 local terms energy: -332.102710 where: bonds (distance) C4'-P energy: -60.656 bonds (distance) P-C4' energy: -52.792 flat angles C4'-P-C4' energy: -70.288 flat angles P-C4'-P energy: -51.673 tors. eta vs tors. theta energy: -96.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1017.735531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.735531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.735531 (E_RNA) where: Base-Base interactions energy: -661.630 where: short stacking energy: -324.629 Base-Backbone interact. energy: -0.571 local terms energy: -355.534464 where: bonds (distance) C4'-P energy: -59.382 bonds (distance) P-C4' energy: -59.750 flat angles C4'-P-C4' energy: -78.297 flat angles P-C4'-P energy: -56.969 tors. eta vs tors. theta energy: -101.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -918.385340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.385340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.385340 (E_RNA) where: Base-Base interactions energy: -602.530 where: short stacking energy: -275.343 Base-Backbone interact. energy: -0.597 local terms energy: -315.257705 where: bonds (distance) C4'-P energy: -54.216 bonds (distance) P-C4' energy: -63.174 flat angles C4'-P-C4' energy: -77.048 flat angles P-C4'-P energy: -51.496 tors. eta vs tors. theta energy: -69.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -881.030433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.030433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.030433 (E_RNA) where: Base-Base interactions energy: -584.313 where: short stacking energy: -274.001 Base-Backbone interact. energy: -1.597 local terms energy: -295.120170 where: bonds (distance) C4'-P energy: -64.495 bonds (distance) P-C4' energy: -51.199 flat angles C4'-P-C4' energy: -66.754 flat angles P-C4'-P energy: -41.956 tors. eta vs tors. theta energy: -70.716 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: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -709.033785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.033785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.033785 (E_RNA) where: Base-Base interactions energy: -422.740 where: short stacking energy: -230.610 Base-Backbone interact. energy: -0.035 local terms energy: -286.258675 where: bonds (distance) C4'-P energy: -63.638 bonds (distance) P-C4' energy: -49.075 flat angles C4'-P-C4' energy: -59.814 flat angles P-C4'-P energy: -48.983 tors. eta vs tors. theta energy: -64.748 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: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -527.435763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.435763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.435763 (E_RNA) where: Base-Base interactions energy: -308.697 where: short stacking energy: -137.754 Base-Backbone interact. energy: -1.585 local terms energy: -217.154718 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -53.876 flat angles P-C4'-P energy: -34.526 tors. eta vs tors. theta energy: -4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -400.710421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.710421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.710421 (E_RNA) where: Base-Base interactions energy: -182.781 where: short stacking energy: -131.632 Base-Backbone interact. energy: -0.843 local terms energy: -217.086220 where: bonds (distance) C4'-P energy: -51.094 bonds (distance) P-C4' energy: -57.033 flat angles C4'-P-C4' energy: -58.703 flat angles P-C4'-P energy: -33.507 tors. eta vs tors. theta energy: -16.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -284.755562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.755562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.755562 (E_RNA) where: Base-Base interactions energy: -114.134 where: short stacking energy: -81.805 Base-Backbone interact. energy: -1.474 local terms energy: -169.148000 where: bonds (distance) C4'-P energy: -46.195 bonds (distance) P-C4' energy: -62.163 flat angles C4'-P-C4' energy: -43.920 flat angles P-C4'-P energy: -33.256 tors. eta vs tors. theta energy: 16.385 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: 1, replica: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1175.571993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.571993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.571993 (E_RNA) where: Base-Base interactions energy: -787.751 where: short stacking energy: -356.733 Base-Backbone interact. energy: 0.276 local terms energy: -388.097158 where: bonds (distance) C4'-P energy: -70.542 bonds (distance) P-C4' energy: -74.157 flat angles C4'-P-C4' energy: -77.525 flat angles P-C4'-P energy: -53.732 tors. eta vs tors. theta energy: -112.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1121.672604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.672604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.672604 (E_RNA) where: Base-Base interactions energy: -767.186 where: short stacking energy: -361.810 Base-Backbone interact. energy: 0.628 local terms energy: -355.114533 where: bonds (distance) C4'-P energy: -64.946 bonds (distance) P-C4' energy: -70.683 flat angles C4'-P-C4' energy: -74.667 flat angles P-C4'-P energy: -45.935 tors. eta vs tors. theta energy: -98.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1055.832398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.832398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.832398 (E_RNA) where: Base-Base interactions energy: -687.357 where: short stacking energy: -316.977 Base-Backbone interact. energy: -1.801 local terms energy: -366.673791 where: bonds (distance) C4'-P energy: -64.758 bonds (distance) P-C4' energy: -73.034 flat angles C4'-P-C4' energy: -73.831 flat angles P-C4'-P energy: -59.068 tors. eta vs tors. theta energy: -95.983 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: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1009.478170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.478170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.478170 (E_RNA) where: Base-Base interactions energy: -681.571 where: short stacking energy: -310.155 Base-Backbone interact. energy: -0.219 local terms energy: -327.688640 where: bonds (distance) C4'-P energy: -56.032 bonds (distance) P-C4' energy: -60.293 flat angles C4'-P-C4' energy: -68.330 flat angles P-C4'-P energy: -50.413 tors. eta vs tors. theta energy: -92.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -907.930644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.930644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.930644 (E_RNA) where: Base-Base interactions energy: -590.780 where: short stacking energy: -273.879 Base-Backbone interact. energy: 1.387 local terms energy: -318.537698 where: bonds (distance) C4'-P energy: -52.880 bonds (distance) P-C4' energy: -72.638 flat angles C4'-P-C4' energy: -69.417 flat angles P-C4'-P energy: -47.698 tors. eta vs tors. theta energy: -75.905 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: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -930.147138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.147138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.147138 (E_RNA) where: Base-Base interactions energy: -606.655 where: short stacking energy: -276.820 Base-Backbone interact. energy: -0.015 local terms energy: -323.476854 where: bonds (distance) C4'-P energy: -74.403 bonds (distance) P-C4' energy: -61.094 flat angles C4'-P-C4' energy: -65.003 flat angles P-C4'-P energy: -47.314 tors. eta vs tors. theta energy: -75.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -664.304033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.304033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.304033 (E_RNA) where: Base-Base interactions energy: -414.132 where: short stacking energy: -209.554 Base-Backbone interact. energy: -0.667 local terms energy: -249.504784 where: bonds (distance) C4'-P energy: -53.060 bonds (distance) P-C4' energy: -64.100 flat angles C4'-P-C4' energy: -58.308 flat angles P-C4'-P energy: -43.729 tors. eta vs tors. theta energy: -30.307 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: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -405.903449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.903449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.903449 (E_RNA) where: Base-Base interactions energy: -204.842 where: short stacking energy: -129.103 Base-Backbone interact. energy: -0.909 local terms energy: -200.152447 where: bonds (distance) C4'-P energy: -52.239 bonds (distance) P-C4' energy: -46.154 flat angles C4'-P-C4' energy: -59.678 flat angles P-C4'-P energy: -33.984 tors. eta vs tors. theta energy: -8.098 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: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -517.140305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.140305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.140305 (E_RNA) where: Base-Base interactions energy: -289.670 where: short stacking energy: -164.102 Base-Backbone interact. energy: -0.213 local terms energy: -227.257171 where: bonds (distance) C4'-P energy: -56.049 bonds (distance) P-C4' energy: -58.164 flat angles C4'-P-C4' energy: -59.071 flat angles P-C4'-P energy: -36.264 tors. eta vs tors. theta energy: -17.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -306.684042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.684042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.684042 (E_RNA) where: Base-Base interactions energy: -100.201 where: short stacking energy: -96.017 Base-Backbone interact. energy: -1.143 local terms energy: -205.339995 where: bonds (distance) C4'-P energy: -52.577 bonds (distance) P-C4' energy: -56.181 flat angles C4'-P-C4' energy: -52.034 flat angles P-C4'-P energy: -32.178 tors. eta vs tors. theta energy: -12.370 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: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1189.278834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.278834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.278834 (E_RNA) where: Base-Base interactions energy: -786.070 where: short stacking energy: -386.245 Base-Backbone interact. energy: -0.345 local terms energy: -402.863502 where: bonds (distance) C4'-P energy: -73.715 bonds (distance) P-C4' energy: -70.204 flat angles C4'-P-C4' energy: -88.979 flat angles P-C4'-P energy: -55.856 tors. eta vs tors. theta energy: -114.110 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: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1129.737620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.737620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.737620 (E_RNA) where: Base-Base interactions energy: -761.684 where: short stacking energy: -339.949 Base-Backbone interact. energy: -1.643 local terms energy: -366.410937 where: bonds (distance) C4'-P energy: -67.963 bonds (distance) P-C4' energy: -71.701 flat angles C4'-P-C4' energy: -79.628 flat angles P-C4'-P energy: -50.926 tors. eta vs tors. theta energy: -96.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1054.911517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.911517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.911517 (E_RNA) where: Base-Base interactions energy: -704.722 where: short stacking energy: -321.275 Base-Backbone interact. energy: 0.053 local terms energy: -350.241812 where: bonds (distance) C4'-P energy: -70.855 bonds (distance) P-C4' energy: -71.153 flat angles C4'-P-C4' energy: -71.357 flat angles P-C4'-P energy: -49.535 tors. eta vs tors. theta energy: -87.342 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: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1026.567208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.567208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.567208 (E_RNA) where: Base-Base interactions energy: -684.039 where: short stacking energy: -316.024 Base-Backbone interact. energy: 1.390 local terms energy: -343.917958 where: bonds (distance) C4'-P energy: -61.378 bonds (distance) P-C4' energy: -71.941 flat angles C4'-P-C4' energy: -73.214 flat angles P-C4'-P energy: -49.820 tors. eta vs tors. theta energy: -87.564 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: 5, replica: 9 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -918.271260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.271260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.271260 (E_RNA) where: Base-Base interactions energy: -598.191 where: short stacking energy: -284.600 Base-Backbone interact. energy: -0.124 local terms energy: -319.956851 where: bonds (distance) C4'-P energy: -67.505 bonds (distance) P-C4' energy: -65.749 flat angles C4'-P-C4' energy: -77.708 flat angles P-C4'-P energy: -31.472 tors. eta vs tors. theta energy: -77.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -899.410155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.410155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.410155 (E_RNA) where: Base-Base interactions energy: -601.476 where: short stacking energy: -266.280 Base-Backbone interact. energy: -0.962 local terms energy: -296.972539 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -56.030 flat angles C4'-P-C4' energy: -72.885 flat angles P-C4'-P energy: -41.517 tors. eta vs tors. theta energy: -67.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -683.235640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.235640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.235640 (E_RNA) where: Base-Base interactions energy: -421.551 where: short stacking energy: -205.765 Base-Backbone interact. energy: -0.621 local terms energy: -261.064093 where: bonds (distance) C4'-P energy: -47.800 bonds (distance) P-C4' energy: -65.159 flat angles C4'-P-C4' energy: -72.003 flat angles P-C4'-P energy: -31.866 tors. eta vs tors. theta energy: -44.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -422.077443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.077443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.077443 (E_RNA) where: Base-Base interactions energy: -186.707 where: short stacking energy: -142.739 Base-Backbone interact. energy: 3.584 local terms energy: -238.954520 where: bonds (distance) C4'-P energy: -72.437 bonds (distance) P-C4' energy: -56.993 flat angles C4'-P-C4' energy: -55.572 flat angles P-C4'-P energy: -35.905 tors. eta vs tors. theta energy: -18.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -489.024436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.024436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.024436 (E_RNA) where: Base-Base interactions energy: -282.478 where: short stacking energy: -137.913 Base-Backbone interact. energy: -1.179 local terms energy: -205.367111 where: bonds (distance) C4'-P energy: -52.358 bonds (distance) P-C4' energy: -69.031 flat angles C4'-P-C4' energy: -40.190 flat angles P-C4'-P energy: -26.439 tors. eta vs tors. theta energy: -17.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -284.572451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.572451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.572451 (E_RNA) where: Base-Base interactions energy: -113.843 where: short stacking energy: -97.780 Base-Backbone interact. energy: -0.447 local terms energy: -170.282799 where: bonds (distance) C4'-P energy: -52.751 bonds (distance) P-C4' energy: -58.283 flat angles C4'-P-C4' energy: -42.868 flat angles P-C4'-P energy: -19.315 tors. eta vs tors. theta energy: 2.935 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: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1202.654627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.654627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.654627 (E_RNA) where: Base-Base interactions energy: -819.792 where: short stacking energy: -394.785 Base-Backbone interact. energy: -0.960 local terms energy: -381.903387 where: bonds (distance) C4'-P energy: -69.162 bonds (distance) P-C4' energy: -55.973 flat angles C4'-P-C4' energy: -84.138 flat angles P-C4'-P energy: -52.737 tors. eta vs tors. theta energy: -119.893 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: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1112.903466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.903466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.903466 (E_RNA) where: Base-Base interactions energy: -744.060 where: short stacking energy: -348.983 Base-Backbone interact. energy: -0.840 local terms energy: -368.003087 where: bonds (distance) C4'-P energy: -68.191 bonds (distance) P-C4' energy: -65.336 flat angles C4'-P-C4' energy: -78.650 flat angles P-C4'-P energy: -56.263 tors. eta vs tors. theta energy: -99.564 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: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1066.417096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.417096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.417096 (E_RNA) where: Base-Base interactions energy: -717.928 where: short stacking energy: -325.959 Base-Backbone interact. energy: 1.902 local terms energy: -350.391546 where: bonds (distance) C4'-P energy: -64.635 bonds (distance) P-C4' energy: -69.068 flat angles C4'-P-C4' energy: -72.432 flat angles P-C4'-P energy: -49.893 tors. eta vs tors. theta energy: -94.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1040.152122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.152122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.152122 (E_RNA) where: Base-Base interactions energy: -690.003 where: short stacking energy: -342.724 Base-Backbone interact. energy: -0.902 local terms energy: -349.247373 where: bonds (distance) C4'-P energy: -61.916 bonds (distance) P-C4' energy: -62.801 flat angles C4'-P-C4' energy: -68.883 flat angles P-C4'-P energy: -54.549 tors. eta vs tors. theta energy: -101.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -951.792255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.792255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.792255 (E_RNA) where: Base-Base interactions energy: -624.897 where: short stacking energy: -305.087 Base-Backbone interact. energy: 0.874 local terms energy: -327.769694 where: bonds (distance) C4'-P energy: -57.715 bonds (distance) P-C4' energy: -66.048 flat angles C4'-P-C4' energy: -77.166 flat angles P-C4'-P energy: -40.455 tors. eta vs tors. theta energy: -86.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -866.102185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.102185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.102185 (E_RNA) where: Base-Base interactions energy: -566.302 where: short stacking energy: -263.175 Base-Backbone interact. energy: -0.517 local terms energy: -299.283596 where: bonds (distance) C4'-P energy: -58.351 bonds (distance) P-C4' energy: -61.907 flat angles C4'-P-C4' energy: -59.086 flat angles P-C4'-P energy: -46.689 tors. eta vs tors. theta energy: -73.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -679.713686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.713686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.713686 (E_RNA) where: Base-Base interactions energy: -402.443 where: short stacking energy: -201.516 Base-Backbone interact. energy: -1.708 local terms energy: -275.562523 where: bonds (distance) C4'-P energy: -63.803 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -46.825 flat angles P-C4'-P energy: -51.848 tors. eta vs tors. theta energy: -42.565 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: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -614.740683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.740683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.740683 (E_RNA) where: Base-Base interactions energy: -383.715 where: short stacking energy: -178.424 Base-Backbone interact. energy: -0.358 local terms energy: -230.667563 where: bonds (distance) C4'-P energy: -51.976 bonds (distance) P-C4' energy: -62.875 flat angles C4'-P-C4' energy: -52.454 flat angles P-C4'-P energy: -27.138 tors. eta vs tors. theta energy: -36.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -355.746550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.746550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.746550 (E_RNA) where: Base-Base interactions energy: -173.898 where: short stacking energy: -124.383 Base-Backbone interact. energy: 6.912 local terms energy: -188.760963 where: bonds (distance) C4'-P energy: -51.677 bonds (distance) P-C4' energy: -55.200 flat angles C4'-P-C4' energy: -57.879 flat angles P-C4'-P energy: -27.791 tors. eta vs tors. theta energy: 3.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -338.610990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.610990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.610990 (E_RNA) where: Base-Base interactions energy: -135.325 where: short stacking energy: -89.500 Base-Backbone interact. energy: -1.418 local terms energy: -201.867555 where: bonds (distance) C4'-P energy: -52.574 bonds (distance) P-C4' energy: -60.429 flat angles C4'-P-C4' energy: -51.507 flat angles P-C4'-P energy: -27.452 tors. eta vs tors. theta energy: -9.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1195.537953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.537953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.537953 (E_RNA) where: Base-Base interactions energy: -807.852 where: short stacking energy: -361.273 Base-Backbone interact. energy: -0.692 local terms energy: -386.993581 where: bonds (distance) C4'-P energy: -73.345 bonds (distance) P-C4' energy: -74.081 flat angles C4'-P-C4' energy: -78.008 flat angles P-C4'-P energy: -54.599 tors. eta vs tors. theta energy: -106.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1144.245824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.245824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.245824 (E_RNA) where: Base-Base interactions energy: -779.607 where: short stacking energy: -335.354 Base-Backbone interact. energy: -1.958 local terms energy: -362.681049 where: bonds (distance) C4'-P energy: -67.508 bonds (distance) P-C4' energy: -69.020 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -55.213 tors. eta vs tors. theta energy: -99.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1045.366798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.366798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.366798 (E_RNA) where: Base-Base interactions energy: -683.148 where: short stacking energy: -321.768 Base-Backbone interact. energy: -0.697 local terms energy: -361.521640 where: bonds (distance) C4'-P energy: -62.570 bonds (distance) P-C4' energy: -71.963 flat angles C4'-P-C4' energy: -70.879 flat angles P-C4'-P energy: -58.506 tors. eta vs tors. theta energy: -97.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1014.290852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.290852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.290852 (E_RNA) where: Base-Base interactions energy: -688.554 where: short stacking energy: -288.992 Base-Backbone interact. energy: -1.046 local terms energy: -324.690571 where: bonds (distance) C4'-P energy: -56.590 bonds (distance) P-C4' energy: -67.368 flat angles C4'-P-C4' energy: -73.078 flat angles P-C4'-P energy: -42.141 tors. eta vs tors. theta energy: -85.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -901.732995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.732995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.732995 (E_RNA) where: Base-Base interactions energy: -606.608 where: short stacking energy: -273.039 Base-Backbone interact. energy: -0.646 local terms energy: -294.478651 where: bonds (distance) C4'-P energy: -54.269 bonds (distance) P-C4' energy: -67.151 flat angles C4'-P-C4' energy: -62.384 flat angles P-C4'-P energy: -45.092 tors. eta vs tors. theta energy: -65.583 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: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -898.632494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.632494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.632494 (E_RNA) where: Base-Base interactions energy: -601.881 where: short stacking energy: -266.971 Base-Backbone interact. energy: -0.338 local terms energy: -296.413798 where: bonds (distance) C4'-P energy: -57.495 bonds (distance) P-C4' energy: -45.821 flat angles C4'-P-C4' energy: -75.241 flat angles P-C4'-P energy: -43.764 tors. eta vs tors. theta energy: -74.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -674.690255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.690255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.690255 (E_RNA) where: Base-Base interactions energy: -420.908 where: short stacking energy: -222.175 Base-Backbone interact. energy: 1.874 local terms energy: -255.655618 where: bonds (distance) C4'-P energy: -63.709 bonds (distance) P-C4' energy: -53.678 flat angles C4'-P-C4' energy: -63.493 flat angles P-C4'-P energy: -28.955 tors. eta vs tors. theta energy: -45.822 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: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -613.866022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.866022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.866022 (E_RNA) where: Base-Base interactions energy: -355.090 where: short stacking energy: -169.497 Base-Backbone interact. energy: -1.334 local terms energy: -257.441965 where: bonds (distance) C4'-P energy: -60.955 bonds (distance) P-C4' energy: -73.640 flat angles C4'-P-C4' energy: -54.772 flat angles P-C4'-P energy: -41.359 tors. eta vs tors. theta energy: -26.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -404.050645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.050645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.050645 (E_RNA) where: Base-Base interactions energy: -196.397 where: short stacking energy: -130.303 Base-Backbone interact. energy: 2.258 local terms energy: -209.912078 where: bonds (distance) C4'-P energy: -39.667 bonds (distance) P-C4' energy: -69.230 flat angles C4'-P-C4' energy: -60.054 flat angles P-C4'-P energy: -31.371 tors. eta vs tors. theta energy: -9.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -282.421328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.421328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.421328 (E_RNA) where: Base-Base interactions energy: -105.821 where: short stacking energy: -65.425 Base-Backbone interact. energy: 2.114 local terms energy: -178.714518 where: bonds (distance) C4'-P energy: -44.528 bonds (distance) P-C4' energy: -49.679 flat angles C4'-P-C4' energy: -60.679 flat angles P-C4'-P energy: -34.048 tors. eta vs tors. theta energy: 10.219 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: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1205.929388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.929388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.929388 (E_RNA) where: Base-Base interactions energy: -833.090 where: short stacking energy: -383.595 Base-Backbone interact. energy: -0.498 local terms energy: -372.341738 where: bonds (distance) C4'-P energy: -61.875 bonds (distance) P-C4' energy: -71.588 flat angles C4'-P-C4' energy: -78.143 flat angles P-C4'-P energy: -51.332 tors. eta vs tors. theta energy: -109.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1154.195581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.195581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.195581 (E_RNA) where: Base-Base interactions energy: -801.102 where: short stacking energy: -358.344 Base-Backbone interact. energy: 0.968 local terms energy: -354.062018 where: bonds (distance) C4'-P energy: -67.762 bonds (distance) P-C4' energy: -61.594 flat angles C4'-P-C4' energy: -78.864 flat angles P-C4'-P energy: -44.372 tors. eta vs tors. theta energy: -101.470 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: 4 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1051.788311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.788311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.788311 (E_RNA) where: Base-Base interactions energy: -690.876 where: short stacking energy: -321.746 Base-Backbone interact. energy: 0.349 local terms energy: -361.261291 where: bonds (distance) C4'-P energy: -68.973 bonds (distance) P-C4' energy: -66.233 flat angles C4'-P-C4' energy: -70.464 flat angles P-C4'-P energy: -51.843 tors. eta vs tors. theta energy: -103.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1007.933626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.933626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.933626 (E_RNA) where: Base-Base interactions energy: -669.048 where: short stacking energy: -326.231 Base-Backbone interact. energy: -1.596 local terms energy: -337.289894 where: bonds (distance) C4'-P energy: -69.197 bonds (distance) P-C4' energy: -53.070 flat angles C4'-P-C4' energy: -72.204 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: -91.926 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: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -922.739646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.739646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.739646 (E_RNA) where: Base-Base interactions energy: -608.532 where: short stacking energy: -270.922 Base-Backbone interact. energy: -0.270 local terms energy: -313.938212 where: bonds (distance) C4'-P energy: -59.662 bonds (distance) P-C4' energy: -57.631 flat angles C4'-P-C4' energy: -71.117 flat angles P-C4'-P energy: -50.959 tors. eta vs tors. theta energy: -74.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -880.233373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.233373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.233373 (E_RNA) where: Base-Base interactions energy: -594.974 where: short stacking energy: -273.708 Base-Backbone interact. energy: -1.014 local terms energy: -284.244705 where: bonds (distance) C4'-P energy: -54.867 bonds (distance) P-C4' energy: -55.705 flat angles C4'-P-C4' energy: -65.066 flat angles P-C4'-P energy: -35.427 tors. eta vs tors. theta energy: -73.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -652.200385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.200385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.200385 (E_RNA) where: Base-Base interactions energy: -389.656 where: short stacking energy: -207.679 Base-Backbone interact. energy: -0.839 local terms energy: -261.705561 where: bonds (distance) C4'-P energy: -65.004 bonds (distance) P-C4' energy: -51.095 flat angles C4'-P-C4' energy: -62.740 flat angles P-C4'-P energy: -46.564 tors. eta vs tors. theta energy: -36.301 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: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -605.005493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.005493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.005493 (E_RNA) where: Base-Base interactions energy: -367.134 where: short stacking energy: -173.870 Base-Backbone interact. energy: 0.190 local terms energy: -238.062000 where: bonds (distance) C4'-P energy: -54.531 bonds (distance) P-C4' energy: -66.296 flat angles C4'-P-C4' energy: -50.381 flat angles P-C4'-P energy: -42.295 tors. eta vs tors. theta energy: -24.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -376.719591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.719591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.719591 (E_RNA) where: Base-Base interactions energy: -172.710 where: short stacking energy: -122.387 Base-Backbone interact. energy: -0.755 local terms energy: -203.255140 where: bonds (distance) C4'-P energy: -59.693 bonds (distance) P-C4' energy: -56.818 flat angles C4'-P-C4' energy: -49.652 flat angles P-C4'-P energy: -36.840 tors. eta vs tors. theta energy: -0.253 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: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -281.810801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.810801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.810801 (E_RNA) where: Base-Base interactions energy: -115.786 where: short stacking energy: -82.694 Base-Backbone interact. energy: 0.014 local terms energy: -166.038307 where: bonds (distance) C4'-P energy: -47.687 bonds (distance) P-C4' energy: -48.584 flat angles C4'-P-C4' energy: -52.122 flat angles P-C4'-P energy: -32.739 tors. eta vs tors. theta energy: 15.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1175.651480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.651480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.651480 (E_RNA) where: Base-Base interactions energy: -814.819 where: short stacking energy: -361.863 Base-Backbone interact. energy: 1.178 local terms energy: -362.010437 where: bonds (distance) C4'-P energy: -61.204 bonds (distance) P-C4' energy: -66.945 flat angles C4'-P-C4' energy: -74.806 flat angles P-C4'-P energy: -54.169 tors. eta vs tors. theta energy: -104.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1169.785194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.785194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.785194 (E_RNA) where: Base-Base interactions energy: -780.505 where: short stacking energy: -365.725 Base-Backbone interact. energy: -0.992 local terms energy: -388.288202 where: bonds (distance) C4'-P energy: -71.331 bonds (distance) P-C4' energy: -68.525 flat angles C4'-P-C4' energy: -80.465 flat angles P-C4'-P energy: -55.473 tors. eta vs tors. theta energy: -112.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1062.483095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.483095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.483095 (E_RNA) where: Base-Base interactions energy: -690.274 where: short stacking energy: -337.050 Base-Backbone interact. energy: 0.167 local terms energy: -372.375413 where: bonds (distance) C4'-P energy: -63.937 bonds (distance) P-C4' energy: -77.045 flat angles C4'-P-C4' energy: -73.156 flat angles P-C4'-P energy: -60.365 tors. eta vs tors. theta energy: -97.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1017.293921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.293921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.293921 (E_RNA) where: Base-Base interactions energy: -665.230 where: short stacking energy: -317.390 Base-Backbone interact. energy: -2.042 local terms energy: -350.021577 where: bonds (distance) C4'-P energy: -63.976 bonds (distance) P-C4' energy: -70.472 flat angles C4'-P-C4' energy: -75.723 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -94.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -953.870500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.870500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.870500 (E_RNA) where: Base-Base interactions energy: -630.368 where: short stacking energy: -285.518 Base-Backbone interact. energy: -0.540 local terms energy: -322.962782 where: bonds (distance) C4'-P energy: -60.963 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -62.358 flat angles P-C4'-P energy: -46.594 tors. eta vs tors. theta energy: -88.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -873.948362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.948362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.948362 (E_RNA) where: Base-Base interactions energy: -570.653 where: short stacking energy: -262.341 Base-Backbone interact. energy: -0.591 local terms energy: -302.704986 where: bonds (distance) C4'-P energy: -59.031 bonds (distance) P-C4' energy: -61.361 flat angles C4'-P-C4' energy: -67.882 flat angles P-C4'-P energy: -45.500 tors. eta vs tors. theta energy: -68.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -699.870489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.870489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.870489 (E_RNA) where: Base-Base interactions energy: -420.069 where: short stacking energy: -215.997 Base-Backbone interact. energy: -1.389 local terms energy: -278.412195 where: bonds (distance) C4'-P energy: -67.572 bonds (distance) P-C4' energy: -47.275 flat angles C4'-P-C4' energy: -62.642 flat angles P-C4'-P energy: -51.309 tors. eta vs tors. theta energy: -49.615 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: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -640.571490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.571490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.571490 (E_RNA) where: Base-Base interactions energy: -414.976 where: short stacking energy: -207.269 Base-Backbone interact. energy: -0.800 local terms energy: -224.795503 where: bonds (distance) C4'-P energy: -48.237 bonds (distance) P-C4' energy: -53.503 flat angles C4'-P-C4' energy: -66.993 flat angles P-C4'-P energy: -20.394 tors. eta vs tors. theta energy: -35.669 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: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -410.999832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.999832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.999832 (E_RNA) where: Base-Base interactions energy: -202.513 where: short stacking energy: -127.343 Base-Backbone interact. energy: -1.228 local terms energy: -207.258435 where: bonds (distance) C4'-P energy: -54.360 bonds (distance) P-C4' energy: -54.941 flat angles C4'-P-C4' energy: -52.079 flat angles P-C4'-P energy: -30.536 tors. eta vs tors. theta energy: -15.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -293.455149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.455149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.455149 (E_RNA) where: Base-Base interactions energy: -101.152 where: short stacking energy: -97.464 Base-Backbone interact. energy: 1.498 local terms energy: -193.800682 where: bonds (distance) C4'-P energy: -57.468 bonds (distance) P-C4' energy: -57.209 flat angles C4'-P-C4' energy: -40.024 flat angles P-C4'-P energy: -42.377 tors. eta vs tors. theta energy: 3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1191.477773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.477773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.477773 (E_RNA) where: Base-Base interactions energy: -800.303 where: short stacking energy: -365.539 Base-Backbone interact. energy: -1.130 local terms energy: -390.045702 where: bonds (distance) C4'-P energy: -66.280 bonds (distance) P-C4' energy: -75.440 flat angles C4'-P-C4' energy: -84.707 flat angles P-C4'-P energy: -58.502 tors. eta vs tors. theta energy: -105.116 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: 2, replica: 1 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1136.616436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.616436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.616436 (E_RNA) where: Base-Base interactions energy: -766.346 where: short stacking energy: -345.740 Base-Backbone interact. energy: -0.909 local terms energy: -369.362022 where: bonds (distance) C4'-P energy: -64.569 bonds (distance) P-C4' energy: -69.183 flat angles C4'-P-C4' energy: -81.536 flat angles P-C4'-P energy: -53.896 tors. eta vs tors. theta energy: -100.177 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: 4 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1029.022954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.022954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.022954 (E_RNA) where: Base-Base interactions energy: -684.479 where: short stacking energy: -331.025 Base-Backbone interact. energy: 3.188 local terms energy: -347.732462 where: bonds (distance) C4'-P energy: -65.103 bonds (distance) P-C4' energy: -65.269 flat angles C4'-P-C4' energy: -71.886 flat angles P-C4'-P energy: -53.744 tors. eta vs tors. theta energy: -91.730 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: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1028.520747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.520747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.520747 (E_RNA) where: Base-Base interactions energy: -676.086 where: short stacking energy: -316.894 Base-Backbone interact. energy: -1.607 local terms energy: -350.828367 where: bonds (distance) C4'-P energy: -59.890 bonds (distance) P-C4' energy: -70.625 flat angles C4'-P-C4' energy: -71.590 flat angles P-C4'-P energy: -57.255 tors. eta vs tors. theta energy: -91.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -945.824557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.824557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.824557 (E_RNA) where: Base-Base interactions energy: -623.533 where: short stacking energy: -268.062 Base-Backbone interact. energy: -1.996 local terms energy: -320.295286 where: bonds (distance) C4'-P energy: -65.725 bonds (distance) P-C4' energy: -68.645 flat angles C4'-P-C4' energy: -71.094 flat angles P-C4'-P energy: -43.497 tors. eta vs tors. theta energy: -71.334 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: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -890.528694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.528694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.528694 (E_RNA) where: Base-Base interactions energy: -590.434 where: short stacking energy: -287.063 Base-Backbone interact. energy: -1.413 local terms energy: -298.681050 where: bonds (distance) C4'-P energy: -59.472 bonds (distance) P-C4' energy: -49.183 flat angles C4'-P-C4' energy: -75.435 flat angles P-C4'-P energy: -42.716 tors. eta vs tors. theta energy: -71.875 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: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -709.411386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.411386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.411386 (E_RNA) where: Base-Base interactions energy: -437.292 where: short stacking energy: -229.785 Base-Backbone interact. energy: -0.825 local terms energy: -271.294099 where: bonds (distance) C4'-P energy: -54.360 bonds (distance) P-C4' energy: -53.768 flat angles C4'-P-C4' energy: -62.258 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: -53.727 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: 2 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -615.762239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.762239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.762239 (E_RNA) where: Base-Base interactions energy: -369.564 where: short stacking energy: -163.817 Base-Backbone interact. energy: -0.936 local terms energy: -245.262161 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -57.948 flat angles C4'-P-C4' energy: -59.349 flat angles P-C4'-P energy: -40.325 tors. eta vs tors. theta energy: -24.088 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: 9, replica: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -368.080151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.080151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.080151 (E_RNA) where: Base-Base interactions energy: -161.711 where: short stacking energy: -119.515 Base-Backbone interact. energy: 1.416 local terms energy: -207.784665 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -59.555 flat angles C4'-P-C4' energy: -53.320 flat angles P-C4'-P energy: -31.516 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -286.101044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.101044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.101044 (E_RNA) where: Base-Base interactions energy: -84.286 where: short stacking energy: -76.680 Base-Backbone interact. energy: -0.553 local terms energy: -201.262256 where: bonds (distance) C4'-P energy: -62.386 bonds (distance) P-C4' energy: -61.129 flat angles C4'-P-C4' energy: -42.499 flat angles P-C4'-P energy: -38.291 tors. eta vs tors. theta energy: 3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1182.381645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.381645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.381645 (E_RNA) where: Base-Base interactions energy: -790.877 where: short stacking energy: -362.479 Base-Backbone interact. energy: 0.238 local terms energy: -391.743109 where: bonds (distance) C4'-P energy: -71.102 bonds (distance) P-C4' energy: -76.257 flat angles C4'-P-C4' energy: -83.538 flat angles P-C4'-P energy: -58.682 tors. eta vs tors. theta energy: -102.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1147.492858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.492858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.492858 (E_RNA) where: Base-Base interactions energy: -795.507 where: short stacking energy: -366.874 Base-Backbone interact. energy: -0.965 local terms energy: -351.021037 where: bonds (distance) C4'-P energy: -62.203 bonds (distance) P-C4' energy: -65.524 flat angles C4'-P-C4' energy: -72.164 flat angles P-C4'-P energy: -45.910 tors. eta vs tors. theta energy: -105.220 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: 406 Temperature: 1.000000 Total energy: -1035.155933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.155933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.155933 (E_RNA) where: Base-Base interactions energy: -694.341 where: short stacking energy: -316.691 Base-Backbone interact. energy: -0.199 local terms energy: -340.615532 where: bonds (distance) C4'-P energy: -72.603 bonds (distance) P-C4' energy: -66.728 flat angles C4'-P-C4' energy: -69.187 flat angles P-C4'-P energy: -45.480 tors. eta vs tors. theta energy: -86.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1050.399413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.399413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.399413 (E_RNA) where: Base-Base interactions energy: -698.196 where: short stacking energy: -339.725 Base-Backbone interact. energy: 0.060 local terms energy: -352.263136 where: bonds (distance) C4'-P energy: -55.455 bonds (distance) P-C4' energy: -67.369 flat angles C4'-P-C4' energy: -70.817 flat angles P-C4'-P energy: -62.661 tors. eta vs tors. theta energy: -95.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -932.564589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.564589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.564589 (E_RNA) where: Base-Base interactions energy: -626.927 where: short stacking energy: -270.112 Base-Backbone interact. energy: 1.330 local terms energy: -306.967794 where: bonds (distance) C4'-P energy: -54.913 bonds (distance) P-C4' energy: -62.122 flat angles C4'-P-C4' energy: -72.785 flat angles P-C4'-P energy: -44.163 tors. eta vs tors. theta energy: -72.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -900.080086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.080086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.080086 (E_RNA) where: Base-Base interactions energy: -594.462 where: short stacking energy: -287.902 Base-Backbone interact. energy: -0.534 local terms energy: -305.084383 where: bonds (distance) C4'-P energy: -59.971 bonds (distance) P-C4' energy: -63.291 flat angles C4'-P-C4' energy: -54.809 flat angles P-C4'-P energy: -51.883 tors. eta vs tors. theta energy: -75.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -681.640564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.640564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.640564 (E_RNA) where: Base-Base interactions energy: -424.727 where: short stacking energy: -224.574 Base-Backbone interact. energy: 1.197 local terms energy: -258.110699 where: bonds (distance) C4'-P energy: -54.995 bonds (distance) P-C4' energy: -56.745 flat angles C4'-P-C4' energy: -60.370 flat angles P-C4'-P energy: -40.023 tors. eta vs tors. theta energy: -45.978 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: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -551.175265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.175265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.175265 (E_RNA) where: Base-Base interactions energy: -335.431 where: short stacking energy: -171.718 Base-Backbone interact. energy: 0.279 local terms energy: -216.022898 where: bonds (distance) C4'-P energy: -58.745 bonds (distance) P-C4' energy: -59.992 flat angles C4'-P-C4' energy: -45.476 flat angles P-C4'-P energy: -29.826 tors. eta vs tors. theta energy: -21.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -368.709926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.709926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.709926 (E_RNA) where: Base-Base interactions energy: -166.572 where: short stacking energy: -107.369 Base-Backbone interact. energy: 0.452 local terms energy: -202.590127 where: bonds (distance) C4'-P energy: -57.300 bonds (distance) P-C4' energy: -56.378 flat angles C4'-P-C4' energy: -53.083 flat angles P-C4'-P energy: -40.775 tors. eta vs tors. theta energy: 4.945 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: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -305.113873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.113873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.113873 (E_RNA) where: Base-Base interactions energy: -110.351 where: short stacking energy: -94.906 Base-Backbone interact. energy: 2.562 local terms energy: -197.324065 where: bonds (distance) C4'-P energy: -58.293 bonds (distance) P-C4' energy: -64.781 flat angles C4'-P-C4' energy: -50.704 flat angles P-C4'-P energy: -29.243 tors. eta vs tors. theta energy: 5.697 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: 407 Temperature: 0.900000 Total energy: -1182.696062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.696062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.696062 (E_RNA) where: Base-Base interactions energy: -812.082 where: short stacking energy: -363.003 Base-Backbone interact. energy: 0.059 local terms energy: -370.673137 where: bonds (distance) C4'-P energy: -70.303 bonds (distance) P-C4' energy: -72.755 flat angles C4'-P-C4' energy: -74.678 flat angles P-C4'-P energy: -56.556 tors. eta vs tors. theta energy: -96.381 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: 1 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1127.878676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.878676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.878676 (E_RNA) where: Base-Base interactions energy: -762.769 where: short stacking energy: -358.305 Base-Backbone interact. energy: -1.188 local terms energy: -363.921835 where: bonds (distance) C4'-P energy: -67.835 bonds (distance) P-C4' energy: -69.582 flat angles C4'-P-C4' energy: -74.470 flat angles P-C4'-P energy: -49.185 tors. eta vs tors. theta energy: -102.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1011.905784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.905784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.905784 (E_RNA) where: Base-Base interactions energy: -672.548 where: short stacking energy: -304.998 Base-Backbone interact. energy: 4.523 local terms energy: -343.880701 where: bonds (distance) C4'-P energy: -65.368 bonds (distance) P-C4' energy: -71.656 flat angles C4'-P-C4' energy: -77.684 flat angles P-C4'-P energy: -39.306 tors. eta vs tors. theta energy: -89.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1038.853789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.853789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.853789 (E_RNA) where: Base-Base interactions energy: -685.855 where: short stacking energy: -316.718 Base-Backbone interact. energy: -0.739 local terms energy: -352.260023 where: bonds (distance) C4'-P energy: -61.147 bonds (distance) P-C4' energy: -77.619 flat angles C4'-P-C4' energy: -78.085 flat angles P-C4'-P energy: -49.818 tors. eta vs tors. theta energy: -85.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -913.367101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.367101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.367101 (E_RNA) where: Base-Base interactions energy: -597.326 where: short stacking energy: -285.954 Base-Backbone interact. energy: -0.369 local terms energy: -315.671426 where: bonds (distance) C4'-P energy: -59.524 bonds (distance) P-C4' energy: -67.762 flat angles C4'-P-C4' energy: -71.571 flat angles P-C4'-P energy: -42.441 tors. eta vs tors. theta energy: -74.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -899.182203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.182203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.182203 (E_RNA) where: Base-Base interactions energy: -588.847 where: short stacking energy: -281.870 Base-Backbone interact. energy: -0.297 local terms energy: -310.037821 where: bonds (distance) C4'-P energy: -64.897 bonds (distance) P-C4' energy: -65.295 flat angles C4'-P-C4' energy: -65.613 flat angles P-C4'-P energy: -34.971 tors. eta vs tors. theta energy: -79.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -687.150711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.150711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.150711 (E_RNA) where: Base-Base interactions energy: -419.222 where: short stacking energy: -227.578 Base-Backbone interact. energy: -0.836 local terms energy: -267.092393 where: bonds (distance) C4'-P energy: -65.766 bonds (distance) P-C4' energy: -59.662 flat angles C4'-P-C4' energy: -58.410 flat angles P-C4'-P energy: -31.550 tors. eta vs tors. theta energy: -51.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -550.778106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.778106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.778106 (E_RNA) where: Base-Base interactions energy: -327.023 where: short stacking energy: -173.991 Base-Backbone interact. energy: -1.599 local terms energy: -222.155937 where: bonds (distance) C4'-P energy: -48.641 bonds (distance) P-C4' energy: -55.541 flat angles C4'-P-C4' energy: -48.389 flat angles P-C4'-P energy: -36.957 tors. eta vs tors. theta energy: -32.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -392.049072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.049072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.049072 (E_RNA) where: Base-Base interactions energy: -183.892 where: short stacking energy: -106.400 Base-Backbone interact. energy: -2.558 local terms energy: -205.599462 where: bonds (distance) C4'-P energy: -67.851 bonds (distance) P-C4' energy: -57.376 flat angles C4'-P-C4' energy: -56.474 flat angles P-C4'-P energy: -17.554 tors. eta vs tors. theta energy: -6.344 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: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -274.618376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.618376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.618376 (E_RNA) where: Base-Base interactions energy: -86.388 where: short stacking energy: -74.258 Base-Backbone interact. energy: 2.379 local terms energy: -190.609840 where: bonds (distance) C4'-P energy: -55.357 bonds (distance) P-C4' energy: -66.698 flat angles C4'-P-C4' energy: -54.275 flat angles P-C4'-P energy: -26.534 tors. eta vs tors. theta energy: 12.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1149.643518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.643518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.643518 (E_RNA) where: Base-Base interactions energy: -780.524 where: short stacking energy: -361.586 Base-Backbone interact. energy: -1.913 local terms energy: -367.206497 where: bonds (distance) C4'-P energy: -65.017 bonds (distance) P-C4' energy: -70.345 flat angles C4'-P-C4' energy: -77.726 flat angles P-C4'-P energy: -54.441 tors. eta vs tors. theta energy: -99.678 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: 2, replica: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1124.172885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.172885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.172885 (E_RNA) where: Base-Base interactions energy: -756.933 where: short stacking energy: -361.724 Base-Backbone interact. energy: -0.290 local terms energy: -366.949900 where: bonds (distance) C4'-P energy: -66.778 bonds (distance) P-C4' energy: -67.668 flat angles C4'-P-C4' energy: -80.300 flat angles P-C4'-P energy: -55.828 tors. eta vs tors. theta energy: -96.375 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: 4 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1056.158079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.158079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.158079 (E_RNA) where: Base-Base interactions energy: -708.652 where: short stacking energy: -339.740 Base-Backbone interact. energy: 1.429 local terms energy: -348.935076 where: bonds (distance) C4'-P energy: -55.191 bonds (distance) P-C4' energy: -64.150 flat angles C4'-P-C4' energy: -77.508 flat angles P-C4'-P energy: -51.671 tors. eta vs tors. theta energy: -100.415 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: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1018.051260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.051260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.051260 (E_RNA) where: Base-Base interactions energy: -680.498 where: short stacking energy: -326.086 Base-Backbone interact. energy: -0.403 local terms energy: -337.150574 where: bonds (distance) C4'-P energy: -64.762 bonds (distance) P-C4' energy: -60.307 flat angles C4'-P-C4' energy: -73.405 flat angles P-C4'-P energy: -49.596 tors. eta vs tors. theta energy: -89.080 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: 5 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -914.672008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.672008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.672008 (E_RNA) where: Base-Base interactions energy: -611.124 where: short stacking energy: -293.667 Base-Backbone interact. energy: -1.644 local terms energy: -301.904302 where: bonds (distance) C4'-P energy: -61.135 bonds (distance) P-C4' energy: -61.613 flat angles C4'-P-C4' energy: -63.764 flat angles P-C4'-P energy: -37.470 tors. eta vs tors. theta energy: -77.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -896.885825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.885825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.885825 (E_RNA) where: Base-Base interactions energy: -603.994 where: short stacking energy: -276.303 Base-Backbone interact. energy: -0.469 local terms energy: -292.422667 where: bonds (distance) C4'-P energy: -58.095 bonds (distance) P-C4' energy: -61.680 flat angles C4'-P-C4' energy: -63.843 flat angles P-C4'-P energy: -42.933 tors. eta vs tors. theta energy: -65.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -651.219504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.219504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.219504 (E_RNA) where: Base-Base interactions energy: -393.200 where: short stacking energy: -206.834 Base-Backbone interact. energy: -0.521 local terms energy: -257.498292 where: bonds (distance) C4'-P energy: -62.492 bonds (distance) P-C4' energy: -61.380 flat angles C4'-P-C4' energy: -68.925 flat angles P-C4'-P energy: -27.949 tors. eta vs tors. theta energy: -36.753 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: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -574.653679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.653679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.653679 (E_RNA) where: Base-Base interactions energy: -340.128 where: short stacking energy: -185.116 Base-Backbone interact. energy: 1.186 local terms energy: -235.711052 where: bonds (distance) C4'-P energy: -54.000 bonds (distance) P-C4' energy: -54.037 flat angles C4'-P-C4' energy: -52.916 flat angles P-C4'-P energy: -37.896 tors. eta vs tors. theta energy: -36.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -427.344094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.344094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.344094 (E_RNA) where: Base-Base interactions energy: -221.513 where: short stacking energy: -134.872 Base-Backbone interact. energy: -0.382 local terms energy: -205.449266 where: bonds (distance) C4'-P energy: -57.303 bonds (distance) P-C4' energy: -57.276 flat angles C4'-P-C4' energy: -43.046 flat angles P-C4'-P energy: -25.447 tors. eta vs tors. theta energy: -22.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -288.296294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.296294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.296294 (E_RNA) where: Base-Base interactions energy: -94.390 where: short stacking energy: -84.316 Base-Backbone interact. energy: -0.350 local terms energy: -193.555888 where: bonds (distance) C4'-P energy: -63.531 bonds (distance) P-C4' energy: -65.292 flat angles C4'-P-C4' energy: -49.565 flat angles P-C4'-P energy: -16.393 tors. eta vs tors. theta energy: 1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1158.746263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.746263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.746263 (E_RNA) where: Base-Base interactions energy: -786.634 where: short stacking energy: -371.715 Base-Backbone interact. energy: -0.772 local terms energy: -371.339669 where: bonds (distance) C4'-P energy: -63.111 bonds (distance) P-C4' energy: -70.600 flat angles C4'-P-C4' energy: -86.469 flat angles P-C4'-P energy: -49.955 tors. eta vs tors. theta energy: -101.205 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: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1139.172015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.172015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.172015 (E_RNA) where: Base-Base interactions energy: -760.504 where: short stacking energy: -373.491 Base-Backbone interact. energy: -1.088 local terms energy: -377.580275 where: bonds (distance) C4'-P energy: -67.074 bonds (distance) P-C4' energy: -74.020 flat angles C4'-P-C4' energy: -73.884 flat angles P-C4'-P energy: -54.040 tors. eta vs tors. theta energy: -108.561 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: 4 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1065.456734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.456734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.456734 (E_RNA) where: Base-Base interactions energy: -721.265 where: short stacking energy: -322.430 Base-Backbone interact. energy: -1.315 local terms energy: -342.876784 where: bonds (distance) C4'-P energy: -68.139 bonds (distance) P-C4' energy: -71.633 flat angles C4'-P-C4' energy: -66.194 flat angles P-C4'-P energy: -48.297 tors. eta vs tors. theta energy: -88.614 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: 5 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -948.673429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.673429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.673429 (E_RNA) where: Base-Base interactions energy: -639.280 where: short stacking energy: -290.026 Base-Backbone interact. energy: -0.846 local terms energy: -308.547056 where: bonds (distance) C4'-P energy: -59.316 bonds (distance) P-C4' energy: -60.758 flat angles C4'-P-C4' energy: -70.806 flat angles P-C4'-P energy: -40.614 tors. eta vs tors. theta energy: -77.052 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: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -949.832946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.832946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.832946 (E_RNA) where: Base-Base interactions energy: -642.041 where: short stacking energy: -306.495 Base-Backbone interact. energy: -2.183 local terms energy: -305.608302 where: bonds (distance) C4'-P energy: -46.956 bonds (distance) P-C4' energy: -65.839 flat angles C4'-P-C4' energy: -69.809 flat angles P-C4'-P energy: -40.699 tors. eta vs tors. theta energy: -82.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -948.946875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.946875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.946875 (E_RNA) where: Base-Base interactions energy: -642.949 where: short stacking energy: -295.537 Base-Backbone interact. energy: 0.121 local terms energy: -306.119043 where: bonds (distance) C4'-P energy: -54.355 bonds (distance) P-C4' energy: -56.414 flat angles C4'-P-C4' energy: -70.879 flat angles P-C4'-P energy: -51.869 tors. eta vs tors. theta energy: -72.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -683.152604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.152604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.152604 (E_RNA) where: Base-Base interactions energy: -417.987 where: short stacking energy: -216.035 Base-Backbone interact. energy: 0.257 local terms energy: -265.423065 where: bonds (distance) C4'-P energy: -55.659 bonds (distance) P-C4' energy: -60.634 flat angles C4'-P-C4' energy: -56.277 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: -48.091 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: 8, replica: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -583.448475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.448475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.448475 (E_RNA) where: Base-Base interactions energy: -321.873 where: short stacking energy: -177.057 Base-Backbone interact. energy: -1.938 local terms energy: -259.637184 where: bonds (distance) C4'-P energy: -54.030 bonds (distance) P-C4' energy: -67.526 flat angles C4'-P-C4' energy: -69.700 flat angles P-C4'-P energy: -32.310 tors. eta vs tors. theta energy: -36.071 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: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -402.787404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.787404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.787404 (E_RNA) where: Base-Base interactions energy: -188.709 where: short stacking energy: -122.137 Base-Backbone interact. energy: 6.855 local terms energy: -220.933192 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -68.270 flat angles C4'-P-C4' energy: -47.256 flat angles P-C4'-P energy: -30.979 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -289.743111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.743111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.743111 (E_RNA) where: Base-Base interactions energy: -83.273 where: short stacking energy: -76.337 Base-Backbone interact. energy: 0.368 local terms energy: -206.838522 where: bonds (distance) C4'-P energy: -60.523 bonds (distance) P-C4' energy: -67.267 flat angles C4'-P-C4' energy: -59.621 flat angles P-C4'-P energy: -20.985 tors. eta vs tors. theta energy: 1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1153.645067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.645067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.645067 (E_RNA) where: Base-Base interactions energy: -784.239 where: short stacking energy: -363.884 Base-Backbone interact. energy: 0.823 local terms energy: -370.229360 where: bonds (distance) C4'-P energy: -67.549 bonds (distance) P-C4' energy: -74.192 flat angles C4'-P-C4' energy: -74.924 flat angles P-C4'-P energy: -52.622 tors. eta vs tors. theta energy: -100.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1143.439429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.439429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.439429 (E_RNA) where: Base-Base interactions energy: -770.912 where: short stacking energy: -372.879 Base-Backbone interact. energy: -0.238 local terms energy: -372.289525 where: bonds (distance) C4'-P energy: -66.044 bonds (distance) P-C4' energy: -70.245 flat angles C4'-P-C4' energy: -78.174 flat angles P-C4'-P energy: -50.486 tors. eta vs tors. theta energy: -107.340 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: 4 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1074.448702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.448702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.448702 (E_RNA) where: Base-Base interactions energy: -734.347 where: short stacking energy: -338.345 Base-Backbone interact. energy: 0.344 local terms energy: -340.446148 where: bonds (distance) C4'-P energy: -58.612 bonds (distance) P-C4' energy: -58.259 flat angles C4'-P-C4' energy: -70.846 flat angles P-C4'-P energy: -55.275 tors. eta vs tors. theta energy: -97.455 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: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -948.112568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.112568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.112568 (E_RNA) where: Base-Base interactions energy: -635.547 where: short stacking energy: -287.666 Base-Backbone interact. energy: 2.172 local terms energy: -314.737794 where: bonds (distance) C4'-P energy: -56.796 bonds (distance) P-C4' energy: -60.163 flat angles C4'-P-C4' energy: -68.771 flat angles P-C4'-P energy: -46.268 tors. eta vs tors. theta energy: -82.740 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: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -950.863696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.863696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.863696 (E_RNA) where: Base-Base interactions energy: -645.171 where: short stacking energy: -299.432 Base-Backbone interact. energy: 0.437 local terms energy: -306.129633 where: bonds (distance) C4'-P energy: -56.780 bonds (distance) P-C4' energy: -57.114 flat angles C4'-P-C4' energy: -67.246 flat angles P-C4'-P energy: -43.590 tors. eta vs tors. theta energy: -81.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -924.507439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.507439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.507439 (E_RNA) where: Base-Base interactions energy: -613.003 where: short stacking energy: -301.035 Base-Backbone interact. energy: -0.741 local terms energy: -310.762879 where: bonds (distance) C4'-P energy: -67.290 bonds (distance) P-C4' energy: -38.827 flat angles C4'-P-C4' energy: -81.104 flat angles P-C4'-P energy: -43.621 tors. eta vs tors. theta energy: -79.921 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: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -700.486271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.486271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.486271 (E_RNA) where: Base-Base interactions energy: -409.265 where: short stacking energy: -225.941 Base-Backbone interact. energy: -0.811 local terms energy: -290.411171 where: bonds (distance) C4'-P energy: -58.919 bonds (distance) P-C4' energy: -68.258 flat angles C4'-P-C4' energy: -62.354 flat angles P-C4'-P energy: -49.864 tors. eta vs tors. theta energy: -51.015 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: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -534.020666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.020666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.020666 (E_RNA) where: Base-Base interactions energy: -313.127 where: short stacking energy: -165.950 Base-Backbone interact. energy: 3.540 local terms energy: -224.434129 where: bonds (distance) C4'-P energy: -57.499 bonds (distance) P-C4' energy: -61.983 flat angles C4'-P-C4' energy: -50.255 flat angles P-C4'-P energy: -29.110 tors. eta vs tors. theta energy: -25.587 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: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -394.206444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.206444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.206444 (E_RNA) where: Base-Base interactions energy: -193.440 where: short stacking energy: -109.888 Base-Backbone interact. energy: 0.310 local terms energy: -201.076279 where: bonds (distance) C4'-P energy: -56.133 bonds (distance) P-C4' energy: -66.425 flat angles C4'-P-C4' energy: -47.300 flat angles P-C4'-P energy: -30.899 tors. eta vs tors. theta energy: -0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -333.183173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.183173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.183173 (E_RNA) where: Base-Base interactions energy: -116.335 where: short stacking energy: -75.361 Base-Backbone interact. energy: 3.429 local terms energy: -220.277171 where: bonds (distance) C4'-P energy: -66.526 bonds (distance) P-C4' energy: -66.017 flat angles C4'-P-C4' energy: -63.508 flat angles P-C4'-P energy: -28.345 tors. eta vs tors. theta energy: 4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1160.974754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.974754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.974754 (E_RNA) where: Base-Base interactions energy: -785.525 where: short stacking energy: -355.049 Base-Backbone interact. energy: -0.663 local terms energy: -374.787275 where: bonds (distance) C4'-P energy: -62.648 bonds (distance) P-C4' energy: -78.429 flat angles C4'-P-C4' energy: -72.581 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -103.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1126.229646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.229646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.229646 (E_RNA) where: Base-Base interactions energy: -761.113 where: short stacking energy: -353.577 Base-Backbone interact. energy: -0.662 local terms energy: -364.454809 where: bonds (distance) C4'-P energy: -71.521 bonds (distance) P-C4' energy: -72.793 flat angles C4'-P-C4' energy: -71.590 flat angles P-C4'-P energy: -54.501 tors. eta vs tors. theta energy: -94.051 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: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1099.192779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.192779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.192779 (E_RNA) where: Base-Base interactions energy: -737.440 where: short stacking energy: -352.058 Base-Backbone interact. energy: -0.301 local terms energy: -361.451299 where: bonds (distance) C4'-P energy: -67.877 bonds (distance) P-C4' energy: -68.508 flat angles C4'-P-C4' energy: -72.923 flat angles P-C4'-P energy: -50.564 tors. eta vs tors. theta energy: -101.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -964.863135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.863135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.863135 (E_RNA) where: Base-Base interactions energy: -620.035 where: short stacking energy: -284.188 Base-Backbone interact. energy: -1.125 local terms energy: -343.702671 where: bonds (distance) C4'-P energy: -70.291 bonds (distance) P-C4' energy: -76.311 flat angles C4'-P-C4' energy: -69.271 flat angles P-C4'-P energy: -54.044 tors. eta vs tors. theta energy: -73.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -923.772839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.772839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.772839 (E_RNA) where: Base-Base interactions energy: -604.634 where: short stacking energy: -279.628 Base-Backbone interact. energy: -0.739 local terms energy: -318.399926 where: bonds (distance) C4'-P energy: -72.061 bonds (distance) P-C4' energy: -67.740 flat angles C4'-P-C4' energy: -63.642 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: -70.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -954.475914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.475914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.475914 (E_RNA) where: Base-Base interactions energy: -653.499 where: short stacking energy: -311.118 Base-Backbone interact. energy: 2.507 local terms energy: -303.484417 where: bonds (distance) C4'-P energy: -65.344 bonds (distance) P-C4' energy: -55.971 flat angles C4'-P-C4' energy: -62.831 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: -80.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -669.653864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.653864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.653864 (E_RNA) where: Base-Base interactions energy: -424.001 where: short stacking energy: -226.358 Base-Backbone interact. energy: 2.226 local terms energy: -247.878710 where: bonds (distance) C4'-P energy: -40.807 bonds (distance) P-C4' energy: -61.715 flat angles C4'-P-C4' energy: -55.388 flat angles P-C4'-P energy: -40.653 tors. eta vs tors. theta energy: -49.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -570.816273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.816273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.816273 (E_RNA) where: Base-Base interactions energy: -320.272 where: short stacking energy: -169.638 Base-Backbone interact. energy: 1.925 local terms energy: -252.469764 where: bonds (distance) C4'-P energy: -62.479 bonds (distance) P-C4' energy: -58.953 flat angles C4'-P-C4' energy: -54.584 flat angles P-C4'-P energy: -45.109 tors. eta vs tors. theta energy: -31.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -397.413825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.413825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.413825 (E_RNA) where: Base-Base interactions energy: -194.375 where: short stacking energy: -115.279 Base-Backbone interact. energy: 1.711 local terms energy: -204.749734 where: bonds (distance) C4'-P energy: -64.886 bonds (distance) P-C4' energy: -53.980 flat angles C4'-P-C4' energy: -56.012 flat angles P-C4'-P energy: -15.321 tors. eta vs tors. theta energy: -14.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -280.286753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.286753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.286753 (E_RNA) where: Base-Base interactions energy: -107.581 where: short stacking energy: -91.231 Base-Backbone interact. energy: -1.707 local terms energy: -170.998831 where: bonds (distance) C4'-P energy: -56.423 bonds (distance) P-C4' energy: -45.094 flat angles C4'-P-C4' energy: -47.652 flat angles P-C4'-P energy: -11.085 tors. eta vs tors. theta energy: -10.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1166.231151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.231151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.231151 (E_RNA) where: Base-Base interactions energy: -795.125 where: short stacking energy: -360.871 Base-Backbone interact. energy: -1.245 local terms energy: -369.861651 where: bonds (distance) C4'-P energy: -60.565 bonds (distance) P-C4' energy: -69.780 flat angles C4'-P-C4' energy: -81.497 flat angles P-C4'-P energy: -54.210 tors. eta vs tors. theta energy: -103.811 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: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1078.089907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.089907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.089907 (E_RNA) where: Base-Base interactions energy: -717.477 where: short stacking energy: -335.519 Base-Backbone interact. energy: -0.659 local terms energy: -359.954313 where: bonds (distance) C4'-P energy: -66.511 bonds (distance) P-C4' energy: -76.057 flat angles C4'-P-C4' energy: -73.260 flat angles P-C4'-P energy: -50.214 tors. eta vs tors. theta energy: -93.912 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: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1079.014357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.014357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.014357 (E_RNA) where: Base-Base interactions energy: -723.408 where: short stacking energy: -334.906 Base-Backbone interact. energy: -1.477 local terms energy: -354.130147 where: bonds (distance) C4'-P energy: -70.411 bonds (distance) P-C4' energy: -74.549 flat angles C4'-P-C4' energy: -74.656 flat angles P-C4'-P energy: -44.724 tors. eta vs tors. theta energy: -89.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -981.977366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.977366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.977366 (E_RNA) where: Base-Base interactions energy: -642.330 where: short stacking energy: -303.514 Base-Backbone interact. energy: -0.795 local terms energy: -338.852898 where: bonds (distance) C4'-P energy: -66.570 bonds (distance) P-C4' energy: -72.917 flat angles C4'-P-C4' energy: -71.983 flat angles P-C4'-P energy: -40.577 tors. eta vs tors. theta energy: -86.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -994.063076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.063076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.063076 (E_RNA) where: Base-Base interactions energy: -660.275 where: short stacking energy: -312.270 Base-Backbone interact. energy: -0.273 local terms energy: -333.515649 where: bonds (distance) C4'-P energy: -61.361 bonds (distance) P-C4' energy: -65.425 flat angles C4'-P-C4' energy: -68.026 flat angles P-C4'-P energy: -47.181 tors. eta vs tors. theta energy: -91.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -865.473235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.473235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.473235 (E_RNA) where: Base-Base interactions energy: -553.396 where: short stacking energy: -262.066 Base-Backbone interact. energy: 0.387 local terms energy: -312.464759 where: bonds (distance) C4'-P energy: -57.385 bonds (distance) P-C4' energy: -71.126 flat angles C4'-P-C4' energy: -72.590 flat angles P-C4'-P energy: -44.672 tors. eta vs tors. theta energy: -66.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -682.633025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.633025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.633025 (E_RNA) where: Base-Base interactions energy: -423.151 where: short stacking energy: -216.153 Base-Backbone interact. energy: -0.761 local terms energy: -258.721768 where: bonds (distance) C4'-P energy: -53.585 bonds (distance) P-C4' energy: -65.434 flat angles C4'-P-C4' energy: -52.740 flat angles P-C4'-P energy: -34.359 tors. eta vs tors. theta energy: -52.604 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: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -537.616345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.616345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.616345 (E_RNA) where: Base-Base interactions energy: -314.410 where: short stacking energy: -173.635 Base-Backbone interact. energy: -2.776 local terms energy: -220.430487 where: bonds (distance) C4'-P energy: -57.985 bonds (distance) P-C4' energy: -61.901 flat angles C4'-P-C4' energy: -54.890 flat angles P-C4'-P energy: -20.208 tors. eta vs tors. theta energy: -25.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -385.262960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.262960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.262960 (E_RNA) where: Base-Base interactions energy: -187.235 where: short stacking energy: -123.158 Base-Backbone interact. energy: -1.788 local terms energy: -196.239087 where: bonds (distance) C4'-P energy: -52.863 bonds (distance) P-C4' energy: -59.717 flat angles C4'-P-C4' energy: -50.944 flat angles P-C4'-P energy: -30.478 tors. eta vs tors. theta energy: -2.238 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: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -285.279862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.279862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.279862 (E_RNA) where: Base-Base interactions energy: -88.331 where: short stacking energy: -73.820 Base-Backbone interact. energy: -0.836 local terms energy: -196.112497 where: bonds (distance) C4'-P energy: -54.399 bonds (distance) P-C4' energy: -59.624 flat angles C4'-P-C4' energy: -53.857 flat angles P-C4'-P energy: -40.965 tors. eta vs tors. theta energy: 12.732 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: 1, replica: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1164.739419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.739419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.739419 (E_RNA) where: Base-Base interactions energy: -784.095 where: short stacking energy: -358.685 Base-Backbone interact. energy: 1.106 local terms energy: -381.750195 where: bonds (distance) C4'-P energy: -68.810 bonds (distance) P-C4' energy: -67.743 flat angles C4'-P-C4' energy: -87.819 flat angles P-C4'-P energy: -48.649 tors. eta vs tors. theta energy: -108.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1155.740775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.740775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.740775 (E_RNA) where: Base-Base interactions energy: -775.524 where: short stacking energy: -357.695 Base-Backbone interact. energy: -1.493 local terms energy: -378.724060 where: bonds (distance) C4'-P energy: -67.493 bonds (distance) P-C4' energy: -73.973 flat angles C4'-P-C4' energy: -78.528 flat angles P-C4'-P energy: -52.027 tors. eta vs tors. theta energy: -106.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1084.077507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.077507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.077507 (E_RNA) where: Base-Base interactions energy: -728.160 where: short stacking energy: -329.992 Base-Backbone interact. energy: -1.788 local terms energy: -354.129631 where: bonds (distance) C4'-P energy: -71.961 bonds (distance) P-C4' energy: -67.298 flat angles C4'-P-C4' energy: -76.509 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: -88.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1017.681481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.681481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.681481 (E_RNA) where: Base-Base interactions energy: -686.200 where: short stacking energy: -310.174 Base-Backbone interact. energy: -0.126 local terms energy: -331.355591 where: bonds (distance) C4'-P energy: -60.790 bonds (distance) P-C4' energy: -76.258 flat angles C4'-P-C4' energy: -70.352 flat angles P-C4'-P energy: -39.767 tors. eta vs tors. theta energy: -84.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -976.181548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.181548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.181548 (E_RNA) where: Base-Base interactions energy: -645.853 where: short stacking energy: -308.546 Base-Backbone interact. energy: 0.528 local terms energy: -330.857079 where: bonds (distance) C4'-P energy: -56.811 bonds (distance) P-C4' energy: -60.577 flat angles C4'-P-C4' energy: -77.384 flat angles P-C4'-P energy: -46.620 tors. eta vs tors. theta energy: -89.465 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: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -879.305297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.305297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.305297 (E_RNA) where: Base-Base interactions energy: -567.709 where: short stacking energy: -263.457 Base-Backbone interact. energy: -2.059 local terms energy: -309.537370 where: bonds (distance) C4'-P energy: -56.139 bonds (distance) P-C4' energy: -64.586 flat angles C4'-P-C4' energy: -78.205 flat angles P-C4'-P energy: -40.774 tors. eta vs tors. theta energy: -69.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -666.827490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.827490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.827490 (E_RNA) where: Base-Base interactions energy: -389.868 where: short stacking energy: -204.681 Base-Backbone interact. energy: -0.170 local terms energy: -276.789342 where: bonds (distance) C4'-P energy: -67.676 bonds (distance) P-C4' energy: -60.084 flat angles C4'-P-C4' energy: -57.890 flat angles P-C4'-P energy: -48.109 tors. eta vs tors. theta energy: -43.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -603.632290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.632290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.632290 (E_RNA) where: Base-Base interactions energy: -360.579 where: short stacking energy: -186.852 Base-Backbone interact. energy: -1.571 local terms energy: -241.482538 where: bonds (distance) C4'-P energy: -52.429 bonds (distance) P-C4' energy: -54.481 flat angles C4'-P-C4' energy: -54.489 flat angles P-C4'-P energy: -38.094 tors. eta vs tors. theta energy: -41.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -376.320014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.320014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.320014 (E_RNA) where: Base-Base interactions energy: -161.135 where: short stacking energy: -104.069 Base-Backbone interact. energy: -0.888 local terms energy: -214.297153 where: bonds (distance) C4'-P energy: -51.864 bonds (distance) P-C4' energy: -70.026 flat angles C4'-P-C4' energy: -50.206 flat angles P-C4'-P energy: -34.253 tors. eta vs tors. theta energy: -7.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -289.645477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.645477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.645477 (E_RNA) where: Base-Base interactions energy: -94.077 where: short stacking energy: -86.633 Base-Backbone interact. energy: -2.008 local terms energy: -193.560022 where: bonds (distance) C4'-P energy: -53.274 bonds (distance) P-C4' energy: -58.921 flat angles C4'-P-C4' energy: -44.851 flat angles P-C4'-P energy: -34.468 tors. eta vs tors. theta energy: -2.045 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: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1175.320518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.320518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.320518 (E_RNA) where: Base-Base interactions energy: -790.484 where: short stacking energy: -383.750 Base-Backbone interact. energy: -0.748 local terms energy: -384.089304 where: bonds (distance) C4'-P energy: -62.163 bonds (distance) P-C4' energy: -71.834 flat angles C4'-P-C4' energy: -84.320 flat angles P-C4'-P energy: -57.046 tors. eta vs tors. theta energy: -108.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1113.274603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.274603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.274603 (E_RNA) where: Base-Base interactions energy: -754.308 where: short stacking energy: -354.032 Base-Backbone interact. energy: 0.027 local terms energy: -358.993769 where: bonds (distance) C4'-P energy: -54.526 bonds (distance) P-C4' energy: -66.041 flat angles C4'-P-C4' energy: -77.583 flat angles P-C4'-P energy: -57.861 tors. eta vs tors. theta energy: -102.984 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: 3, replica: 4 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1089.161809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.161809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.161809 (E_RNA) where: Base-Base interactions energy: -748.729 where: short stacking energy: -343.692 Base-Backbone interact. energy: -0.336 local terms energy: -340.096697 where: bonds (distance) C4'-P energy: -61.955 bonds (distance) P-C4' energy: -61.385 flat angles C4'-P-C4' energy: -74.478 flat angles P-C4'-P energy: -49.523 tors. eta vs tors. theta energy: -92.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1018.450516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.450516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.450516 (E_RNA) where: Base-Base interactions energy: -677.502 where: short stacking energy: -324.838 Base-Backbone interact. energy: -1.321 local terms energy: -339.628291 where: bonds (distance) C4'-P energy: -76.838 bonds (distance) P-C4' energy: -49.828 flat angles C4'-P-C4' energy: -78.814 flat angles P-C4'-P energy: -41.182 tors. eta vs tors. theta energy: -92.967 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: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -930.600652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.600652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.600652 (E_RNA) where: Base-Base interactions energy: -616.721 where: short stacking energy: -292.539 Base-Backbone interact. energy: 1.303 local terms energy: -315.182387 where: bonds (distance) C4'-P energy: -62.265 bonds (distance) P-C4' energy: -61.923 flat angles C4'-P-C4' energy: -62.280 flat angles P-C4'-P energy: -45.594 tors. eta vs tors. theta energy: -83.120 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: 9 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -979.641254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.641254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.641254 (E_RNA) where: Base-Base interactions energy: -651.052 where: short stacking energy: -309.274 Base-Backbone interact. energy: -0.174 local terms energy: -328.415057 where: bonds (distance) C4'-P energy: -63.379 bonds (distance) P-C4' energy: -66.378 flat angles C4'-P-C4' energy: -67.269 flat angles P-C4'-P energy: -41.359 tors. eta vs tors. theta energy: -90.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -703.383846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.383846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.383846 (E_RNA) where: Base-Base interactions energy: -403.987 where: short stacking energy: -212.896 Base-Backbone interact. energy: -1.685 local terms energy: -297.712273 where: bonds (distance) C4'-P energy: -61.401 bonds (distance) P-C4' energy: -72.373 flat angles C4'-P-C4' energy: -68.572 flat angles P-C4'-P energy: -37.120 tors. eta vs tors. theta energy: -58.247 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: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -606.669080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.669080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.669080 (E_RNA) where: Base-Base interactions energy: -357.643 where: short stacking energy: -162.599 Base-Backbone interact. energy: -0.778 local terms energy: -248.248767 where: bonds (distance) C4'-P energy: -53.839 bonds (distance) P-C4' energy: -62.264 flat angles C4'-P-C4' energy: -55.846 flat angles P-C4'-P energy: -38.806 tors. eta vs tors. theta energy: -37.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -335.094283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.094283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.094283 (E_RNA) where: Base-Base interactions energy: -115.629 where: short stacking energy: -112.837 Base-Backbone interact. energy: 0.580 local terms energy: -220.045370 where: bonds (distance) C4'-P energy: -56.780 bonds (distance) P-C4' energy: -60.063 flat angles C4'-P-C4' energy: -61.006 flat angles P-C4'-P energy: -35.276 tors. eta vs tors. theta energy: -6.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -278.717313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.717313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.717313 (E_RNA) where: Base-Base interactions energy: -108.912 where: short stacking energy: -70.213 Base-Backbone interact. energy: 4.370 local terms energy: -174.176113 where: bonds (distance) C4'-P energy: -48.050 bonds (distance) P-C4' energy: -66.482 flat angles C4'-P-C4' energy: -48.733 flat angles P-C4'-P energy: -21.236 tors. eta vs tors. theta energy: 10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1170.212383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.212383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.212383 (E_RNA) where: Base-Base interactions energy: -782.813 where: short stacking energy: -376.327 Base-Backbone interact. energy: -0.242 local terms energy: -387.157051 where: bonds (distance) C4'-P energy: -66.190 bonds (distance) P-C4' energy: -75.375 flat angles C4'-P-C4' energy: -75.670 flat angles P-C4'-P energy: -57.158 tors. eta vs tors. theta energy: -112.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1149.735948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.735948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.735948 (E_RNA) where: Base-Base interactions energy: -782.758 where: short stacking energy: -330.981 Base-Backbone interact. energy: -1.198 local terms energy: -365.780028 where: bonds (distance) C4'-P energy: -62.467 bonds (distance) P-C4' energy: -69.984 flat angles C4'-P-C4' energy: -74.678 flat angles P-C4'-P energy: -53.520 tors. eta vs tors. theta energy: -105.130 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: 4 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1075.180512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.180512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.180512 (E_RNA) where: Base-Base interactions energy: -733.086 where: short stacking energy: -346.539 Base-Backbone interact. energy: -1.341 local terms energy: -340.753574 where: bonds (distance) C4'-P energy: -68.094 bonds (distance) P-C4' energy: -55.180 flat angles C4'-P-C4' energy: -67.923 flat angles P-C4'-P energy: -50.601 tors. eta vs tors. theta energy: -98.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1004.131146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.131146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.131146 (E_RNA) where: Base-Base interactions energy: -663.302 where: short stacking energy: -306.592 Base-Backbone interact. energy: -1.770 local terms energy: -339.059586 where: bonds (distance) C4'-P energy: -56.882 bonds (distance) P-C4' energy: -69.350 flat angles C4'-P-C4' energy: -69.170 flat angles P-C4'-P energy: -48.816 tors. eta vs tors. theta energy: -94.842 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: 5 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -926.300502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.300502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.300502 (E_RNA) where: Base-Base interactions energy: -610.493 where: short stacking energy: -281.211 Base-Backbone interact. energy: -2.060 local terms energy: -313.747091 where: bonds (distance) C4'-P energy: -59.017 bonds (distance) P-C4' energy: -65.107 flat angles C4'-P-C4' energy: -70.747 flat angles P-C4'-P energy: -45.006 tors. eta vs tors. theta energy: -73.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -990.270303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.270303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.270303 (E_RNA) where: Base-Base interactions energy: -659.392 where: short stacking energy: -319.608 Base-Backbone interact. energy: 0.976 local terms energy: -331.855239 where: bonds (distance) C4'-P energy: -58.759 bonds (distance) P-C4' energy: -52.023 flat angles C4'-P-C4' energy: -77.930 flat angles P-C4'-P energy: -45.239 tors. eta vs tors. theta energy: -97.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -666.966317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.966317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.966317 (E_RNA) where: Base-Base interactions energy: -413.582 where: short stacking energy: -209.980 Base-Backbone interact. energy: 0.758 local terms energy: -254.142391 where: bonds (distance) C4'-P energy: -61.651 bonds (distance) P-C4' energy: -50.597 flat angles C4'-P-C4' energy: -62.288 flat angles P-C4'-P energy: -41.490 tors. eta vs tors. theta energy: -38.115 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: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -636.835601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.835601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.835601 (E_RNA) where: Base-Base interactions energy: -417.647 where: short stacking energy: -187.690 Base-Backbone interact. energy: -1.088 local terms energy: -218.099783 where: bonds (distance) C4'-P energy: -50.044 bonds (distance) P-C4' energy: -50.115 flat angles C4'-P-C4' energy: -55.587 flat angles P-C4'-P energy: -29.939 tors. eta vs tors. theta energy: -32.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -350.027968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.027968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.027968 (E_RNA) where: Base-Base interactions energy: -143.121 where: short stacking energy: -110.299 Base-Backbone interact. energy: 1.547 local terms energy: -208.453940 where: bonds (distance) C4'-P energy: -63.666 bonds (distance) P-C4' energy: -59.905 flat angles C4'-P-C4' energy: -58.320 flat angles P-C4'-P energy: -30.762 tors. eta vs tors. theta energy: 4.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -286.222844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.222844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.222844 (E_RNA) where: Base-Base interactions energy: -108.130 where: short stacking energy: -86.934 Base-Backbone interact. energy: -0.994 local terms energy: -177.098415 where: bonds (distance) C4'-P energy: -43.848 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -46.679 flat angles P-C4'-P energy: -32.668 tors. eta vs tors. theta energy: 6.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1158.674218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.674218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.674218 (E_RNA) where: Base-Base interactions energy: -774.924 where: short stacking energy: -359.416 Base-Backbone interact. energy: -1.511 local terms energy: -382.239349 where: bonds (distance) C4'-P energy: -74.034 bonds (distance) P-C4' energy: -73.793 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -56.024 tors. eta vs tors. theta energy: -104.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1112.142312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.142312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.142312 (E_RNA) where: Base-Base interactions energy: -761.273 where: short stacking energy: -325.424 Base-Backbone interact. energy: -1.108 local terms energy: -349.761324 where: bonds (distance) C4'-P energy: -67.430 bonds (distance) P-C4' energy: -69.259 flat angles C4'-P-C4' energy: -78.342 flat angles P-C4'-P energy: -43.885 tors. eta vs tors. theta energy: -90.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1070.332775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.332775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.332775 (E_RNA) where: Base-Base interactions energy: -708.946 where: short stacking energy: -318.279 Base-Backbone interact. energy: -0.279 local terms energy: -361.107407 where: bonds (distance) C4'-P energy: -71.210 bonds (distance) P-C4' energy: -72.953 flat angles C4'-P-C4' energy: -82.854 flat angles P-C4'-P energy: -46.235 tors. eta vs tors. theta energy: -87.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -997.310502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.310502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.310502 (E_RNA) where: Base-Base interactions energy: -663.851 where: short stacking energy: -293.256 Base-Backbone interact. energy: -0.932 local terms energy: -332.527989 where: bonds (distance) C4'-P energy: -59.450 bonds (distance) P-C4' energy: -71.540 flat angles C4'-P-C4' energy: -67.226 flat angles P-C4'-P energy: -47.912 tors. eta vs tors. theta energy: -86.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -931.534851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.534851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.534851 (E_RNA) where: Base-Base interactions energy: -620.326 where: short stacking energy: -284.979 Base-Backbone interact. energy: -0.731 local terms energy: -310.477741 where: bonds (distance) C4'-P energy: -65.158 bonds (distance) P-C4' energy: -64.699 flat angles C4'-P-C4' energy: -64.233 flat angles P-C4'-P energy: -47.002 tors. eta vs tors. theta energy: -69.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -946.647208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.647208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.647208 (E_RNA) where: Base-Base interactions energy: -609.572 where: short stacking energy: -273.545 Base-Backbone interact. energy: -2.884 local terms energy: -334.191225 where: bonds (distance) C4'-P energy: -69.536 bonds (distance) P-C4' energy: -70.393 flat angles C4'-P-C4' energy: -74.879 flat angles P-C4'-P energy: -46.127 tors. eta vs tors. theta energy: -73.255 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: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -719.765545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.765545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.765545 (E_RNA) where: Base-Base interactions energy: -448.975 where: short stacking energy: -201.575 Base-Backbone interact. energy: -1.376 local terms energy: -269.414841 where: bonds (distance) C4'-P energy: -62.060 bonds (distance) P-C4' energy: -68.016 flat angles C4'-P-C4' energy: -55.507 flat angles P-C4'-P energy: -39.411 tors. eta vs tors. theta energy: -44.421 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: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -666.236911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.236911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.236911 (E_RNA) where: Base-Base interactions energy: -399.622 where: short stacking energy: -208.647 Base-Backbone interact. energy: -0.658 local terms energy: -265.957538 where: bonds (distance) C4'-P energy: -54.712 bonds (distance) P-C4' energy: -66.279 flat angles C4'-P-C4' energy: -58.140 flat angles P-C4'-P energy: -45.698 tors. eta vs tors. theta energy: -41.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -377.704269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.704269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.704269 (E_RNA) where: Base-Base interactions energy: -152.660 where: short stacking energy: -97.458 Base-Backbone interact. energy: -0.751 local terms energy: -224.293588 where: bonds (distance) C4'-P energy: -57.922 bonds (distance) P-C4' energy: -69.525 flat angles C4'-P-C4' energy: -60.102 flat angles P-C4'-P energy: -35.105 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -293.836912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.836912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.836912 (E_RNA) where: Base-Base interactions energy: -114.515 where: short stacking energy: -86.595 Base-Backbone interact. energy: 2.712 local terms energy: -182.033262 where: bonds (distance) C4'-P energy: -51.782 bonds (distance) P-C4' energy: -50.235 flat angles C4'-P-C4' energy: -49.960 flat angles P-C4'-P energy: -24.010 tors. eta vs tors. theta energy: -6.046 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: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1162.415306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.415306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.415306 (E_RNA) where: Base-Base interactions energy: -787.323 where: short stacking energy: -351.972 Base-Backbone interact. energy: -0.296 local terms energy: -374.795710 where: bonds (distance) C4'-P energy: -64.566 bonds (distance) P-C4' energy: -67.616 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -57.228 tors. eta vs tors. theta energy: -109.054 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: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1122.170021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.170021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.170021 (E_RNA) where: Base-Base interactions energy: -762.800 where: short stacking energy: -343.259 Base-Backbone interact. energy: 0.632 local terms energy: -360.001759 where: bonds (distance) C4'-P energy: -64.901 bonds (distance) P-C4' energy: -73.168 flat angles C4'-P-C4' energy: -81.955 flat angles P-C4'-P energy: -41.569 tors. eta vs tors. theta energy: -98.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1038.461424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.461424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.461424 (E_RNA) where: Base-Base interactions energy: -676.336 where: short stacking energy: -315.632 Base-Backbone interact. energy: 0.629 local terms energy: -362.754235 where: bonds (distance) C4'-P energy: -72.699 bonds (distance) P-C4' energy: -61.369 flat angles C4'-P-C4' energy: -80.621 flat angles P-C4'-P energy: -57.996 tors. eta vs tors. theta energy: -90.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1007.960282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.960282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.960282 (E_RNA) where: Base-Base interactions energy: -689.764 where: short stacking energy: -301.663 Base-Backbone interact. energy: -0.950 local terms energy: -317.246157 where: bonds (distance) C4'-P energy: -62.824 bonds (distance) P-C4' energy: -60.854 flat angles C4'-P-C4' energy: -63.771 flat angles P-C4'-P energy: -46.034 tors. eta vs tors. theta energy: -83.763 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: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -946.611355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.611355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.611355 (E_RNA) where: Base-Base interactions energy: -612.380 where: short stacking energy: -283.538 Base-Backbone interact. energy: -1.739 local terms energy: -332.492879 where: bonds (distance) C4'-P energy: -66.864 bonds (distance) P-C4' energy: -57.971 flat angles C4'-P-C4' energy: -76.058 flat angles P-C4'-P energy: -50.543 tors. eta vs tors. theta energy: -81.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -932.486060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.486060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.486060 (E_RNA) where: Base-Base interactions energy: -622.233 where: short stacking energy: -293.021 Base-Backbone interact. energy: -0.599 local terms energy: -309.653994 where: bonds (distance) C4'-P energy: -60.734 bonds (distance) P-C4' energy: -50.382 flat angles C4'-P-C4' energy: -71.095 flat angles P-C4'-P energy: -45.410 tors. eta vs tors. theta energy: -82.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -669.096821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.096821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.096821 (E_RNA) where: Base-Base interactions energy: -390.335 where: short stacking energy: -196.088 Base-Backbone interact. energy: -0.622 local terms energy: -278.139534 where: bonds (distance) C4'-P energy: -59.625 bonds (distance) P-C4' energy: -67.912 flat angles C4'-P-C4' energy: -63.636 flat angles P-C4'-P energy: -45.172 tors. eta vs tors. theta energy: -41.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -645.312759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.312759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.312759 (E_RNA) where: Base-Base interactions energy: -380.831 where: short stacking energy: -189.147 Base-Backbone interact. energy: 2.248 local terms energy: -266.730414 where: bonds (distance) C4'-P energy: -67.378 bonds (distance) P-C4' energy: -58.203 flat angles C4'-P-C4' energy: -62.398 flat angles P-C4'-P energy: -37.323 tors. eta vs tors. theta energy: -41.429 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: 9, replica: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -370.525880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.525880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.525880 (E_RNA) where: Base-Base interactions energy: -154.664 where: short stacking energy: -115.411 Base-Backbone interact. energy: -0.916 local terms energy: -214.946013 where: bonds (distance) C4'-P energy: -50.236 bonds (distance) P-C4' energy: -58.336 flat angles C4'-P-C4' energy: -43.702 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -18.072 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: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -293.406113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.406113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.406113 (E_RNA) where: Base-Base interactions energy: -107.108 where: short stacking energy: -84.415 Base-Backbone interact. energy: 2.413 local terms energy: -188.710855 where: bonds (distance) C4'-P energy: -56.407 bonds (distance) P-C4' energy: -62.261 flat angles C4'-P-C4' energy: -48.007 flat angles P-C4'-P energy: -32.216 tors. eta vs tors. theta energy: 10.180 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: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1175.543906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.543906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.543906 (E_RNA) where: Base-Base interactions energy: -786.292 where: short stacking energy: -360.336 Base-Backbone interact. energy: -3.218 local terms energy: -386.033647 where: bonds (distance) C4'-P energy: -66.526 bonds (distance) P-C4' energy: -69.537 flat angles C4'-P-C4' energy: -81.666 flat angles P-C4'-P energy: -62.914 tors. eta vs tors. theta energy: -105.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1102.995214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.995214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.995214 (E_RNA) where: Base-Base interactions energy: -748.417 where: short stacking energy: -346.246 Base-Backbone interact. energy: -1.499 local terms energy: -353.079803 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -67.031 flat angles C4'-P-C4' energy: -75.214 flat angles P-C4'-P energy: -54.222 tors. eta vs tors. theta energy: -96.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1061.154750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.154750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.154750 (E_RNA) where: Base-Base interactions energy: -697.140 where: short stacking energy: -327.538 Base-Backbone interact. energy: 1.970 local terms energy: -365.984713 where: bonds (distance) C4'-P energy: -68.174 bonds (distance) P-C4' energy: -72.113 flat angles C4'-P-C4' energy: -72.160 flat angles P-C4'-P energy: -58.620 tors. eta vs tors. theta energy: -94.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1021.249081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.249081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.249081 (E_RNA) where: Base-Base interactions energy: -686.995 where: short stacking energy: -323.707 Base-Backbone interact. energy: 1.170 local terms energy: -335.425045 where: bonds (distance) C4'-P energy: -65.909 bonds (distance) P-C4' energy: -64.734 flat angles C4'-P-C4' energy: -70.271 flat angles P-C4'-P energy: -46.222 tors. eta vs tors. theta energy: -88.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -970.014457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.014457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.014457 (E_RNA) where: Base-Base interactions energy: -656.893 where: short stacking energy: -309.162 Base-Backbone interact. energy: -0.339 local terms energy: -312.782033 where: bonds (distance) C4'-P energy: -48.224 bonds (distance) P-C4' energy: -65.276 flat angles C4'-P-C4' energy: -70.927 flat angles P-C4'-P energy: -46.551 tors. eta vs tors. theta energy: -81.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -894.008446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.008446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.008446 (E_RNA) where: Base-Base interactions energy: -588.415 where: short stacking energy: -278.874 Base-Backbone interact. energy: -0.679 local terms energy: -304.913942 where: bonds (distance) C4'-P energy: -63.804 bonds (distance) P-C4' energy: -52.879 flat angles C4'-P-C4' energy: -73.183 flat angles P-C4'-P energy: -43.959 tors. eta vs tors. theta energy: -71.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -707.418401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.418401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.418401 (E_RNA) where: Base-Base interactions energy: -465.483 where: short stacking energy: -212.153 Base-Backbone interact. energy: 3.718 local terms energy: -245.653068 where: bonds (distance) C4'-P energy: -59.752 bonds (distance) P-C4' energy: -55.384 flat angles C4'-P-C4' energy: -55.837 flat angles P-C4'-P energy: -40.956 tors. eta vs tors. theta energy: -33.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -654.283845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.283845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.283845 (E_RNA) where: Base-Base interactions energy: -400.560 where: short stacking energy: -222.762 Base-Backbone interact. energy: 0.032 local terms energy: -253.756343 where: bonds (distance) C4'-P energy: -41.621 bonds (distance) P-C4' energy: -75.250 flat angles C4'-P-C4' energy: -46.740 flat angles P-C4'-P energy: -45.159 tors. eta vs tors. theta energy: -44.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -302.980131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.980131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.980131 (E_RNA) where: Base-Base interactions energy: -117.545 where: short stacking energy: -109.827 Base-Backbone interact. energy: 2.090 local terms energy: -187.524299 where: bonds (distance) C4'-P energy: -58.073 bonds (distance) P-C4' energy: -61.207 flat angles C4'-P-C4' energy: -53.741 flat angles P-C4'-P energy: -25.566 tors. eta vs tors. theta energy: 11.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -280.704379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.704379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.704379 (E_RNA) where: Base-Base interactions energy: -77.018 where: short stacking energy: -67.103 Base-Backbone interact. energy: 0.701 local terms energy: -204.387629 where: bonds (distance) C4'-P energy: -66.918 bonds (distance) P-C4' energy: -67.976 flat angles C4'-P-C4' energy: -54.276 flat angles P-C4'-P energy: -30.090 tors. eta vs tors. theta energy: 14.873 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: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1174.862022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.862022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.862022 (E_RNA) where: Base-Base interactions energy: -795.176 where: short stacking energy: -360.832 Base-Backbone interact. energy: -1.196 local terms energy: -378.489465 where: bonds (distance) C4'-P energy: -63.178 bonds (distance) P-C4' energy: -74.979 flat angles C4'-P-C4' energy: -74.093 flat angles P-C4'-P energy: -54.145 tors. eta vs tors. theta energy: -112.095 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: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1117.375582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.375582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.375582 (E_RNA) where: Base-Base interactions energy: -760.682 where: short stacking energy: -349.736 Base-Backbone interact. energy: -1.770 local terms energy: -354.923991 where: bonds (distance) C4'-P energy: -75.067 bonds (distance) P-C4' energy: -70.579 flat angles C4'-P-C4' energy: -78.915 flat angles P-C4'-P energy: -35.255 tors. eta vs tors. theta energy: -95.108 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: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1051.846556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.846556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.846556 (E_RNA) where: Base-Base interactions energy: -694.368 where: short stacking energy: -323.894 Base-Backbone interact. energy: -0.910 local terms energy: -356.568463 where: bonds (distance) C4'-P energy: -68.912 bonds (distance) P-C4' energy: -63.902 flat angles C4'-P-C4' energy: -73.609 flat angles P-C4'-P energy: -56.985 tors. eta vs tors. theta energy: -93.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1010.717424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.717424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.717424 (E_RNA) where: Base-Base interactions energy: -665.839 where: short stacking energy: -332.385 Base-Backbone interact. energy: 0.746 local terms energy: -345.624150 where: bonds (distance) C4'-P energy: -67.189 bonds (distance) P-C4' energy: -61.587 flat angles C4'-P-C4' energy: -71.635 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -94.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -973.492974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.492974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.492974 (E_RNA) where: Base-Base interactions energy: -662.324 where: short stacking energy: -304.271 Base-Backbone interact. energy: -0.203 local terms energy: -310.966230 where: bonds (distance) C4'-P energy: -54.645 bonds (distance) P-C4' energy: -63.136 flat angles C4'-P-C4' energy: -69.179 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -81.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -876.098640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.098640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.098640 (E_RNA) where: Base-Base interactions energy: -594.976 where: short stacking energy: -272.494 Base-Backbone interact. energy: 1.238 local terms energy: -282.361078 where: bonds (distance) C4'-P energy: -59.901 bonds (distance) P-C4' energy: -56.037 flat angles C4'-P-C4' energy: -62.374 flat angles P-C4'-P energy: -38.638 tors. eta vs tors. theta energy: -65.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -675.666057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.666057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.666057 (E_RNA) where: Base-Base interactions energy: -419.711 where: short stacking energy: -219.063 Base-Backbone interact. energy: -1.534 local terms energy: -254.421152 where: bonds (distance) C4'-P energy: -49.486 bonds (distance) P-C4' energy: -62.630 flat angles C4'-P-C4' energy: -53.998 flat angles P-C4'-P energy: -44.711 tors. eta vs tors. theta energy: -43.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -683.832968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.832968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.832968 (E_RNA) where: Base-Base interactions energy: -454.459 where: short stacking energy: -237.220 Base-Backbone interact. energy: 1.322 local terms energy: -230.695598 where: bonds (distance) C4'-P energy: -50.482 bonds (distance) P-C4' energy: -38.557 flat angles C4'-P-C4' energy: -56.500 flat angles P-C4'-P energy: -33.570 tors. eta vs tors. theta energy: -51.587 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: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -330.925709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.925709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.925709 (E_RNA) where: Base-Base interactions energy: -139.521 where: short stacking energy: -104.383 Base-Backbone interact. energy: -0.602 local terms energy: -190.802467 where: bonds (distance) C4'-P energy: -54.400 bonds (distance) P-C4' energy: -59.475 flat angles C4'-P-C4' energy: -43.244 flat angles P-C4'-P energy: -25.365 tors. eta vs tors. theta energy: -8.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -281.228959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.228959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.228959 (E_RNA) where: Base-Base interactions energy: -79.590 where: short stacking energy: -69.778 Base-Backbone interact. energy: -0.630 local terms energy: -201.009326 where: bonds (distance) C4'-P energy: -57.172 bonds (distance) P-C4' energy: -62.871 flat angles C4'-P-C4' energy: -47.587 flat angles P-C4'-P energy: -31.991 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1162.724300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.724300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.724300 (E_RNA) where: Base-Base interactions energy: -784.956 where: short stacking energy: -367.640 Base-Backbone interact. energy: 0.530 local terms energy: -378.297742 where: bonds (distance) C4'-P energy: -60.765 bonds (distance) P-C4' energy: -74.516 flat angles C4'-P-C4' energy: -82.847 flat angles P-C4'-P energy: -52.823 tors. eta vs tors. theta energy: -107.346 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: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1110.712955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.712955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.712955 (E_RNA) where: Base-Base interactions energy: -748.255 where: short stacking energy: -337.360 Base-Backbone interact. energy: 0.123 local terms energy: -362.580727 where: bonds (distance) C4'-P energy: -68.039 bonds (distance) P-C4' energy: -72.148 flat angles C4'-P-C4' energy: -75.096 flat angles P-C4'-P energy: -46.996 tors. eta vs tors. theta energy: -100.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1086.087454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.087454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.087454 (E_RNA) where: Base-Base interactions energy: -725.254 where: short stacking energy: -307.895 Base-Backbone interact. energy: 0.030 local terms energy: -360.863630 where: bonds (distance) C4'-P energy: -71.593 bonds (distance) P-C4' energy: -73.578 flat angles C4'-P-C4' energy: -72.732 flat angles P-C4'-P energy: -52.481 tors. eta vs tors. theta energy: -90.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1014.201529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.201529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.201529 (E_RNA) where: Base-Base interactions energy: -660.630 where: short stacking energy: -320.125 Base-Backbone interact. energy: -1.310 local terms energy: -352.262095 where: bonds (distance) C4'-P energy: -61.517 bonds (distance) P-C4' energy: -70.678 flat angles C4'-P-C4' energy: -75.825 flat angles P-C4'-P energy: -48.266 tors. eta vs tors. theta energy: -95.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -966.014803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.014803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.014803 (E_RNA) where: Base-Base interactions energy: -647.160 where: short stacking energy: -308.502 Base-Backbone interact. energy: -0.604 local terms energy: -318.250746 where: bonds (distance) C4'-P energy: -63.863 bonds (distance) P-C4' energy: -59.730 flat angles C4'-P-C4' energy: -74.065 flat angles P-C4'-P energy: -39.451 tors. eta vs tors. theta energy: -81.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -894.315313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.315313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.315313 (E_RNA) where: Base-Base interactions energy: -613.759 where: short stacking energy: -273.980 Base-Backbone interact. energy: -1.105 local terms energy: -279.451230 where: bonds (distance) C4'-P energy: -67.744 bonds (distance) P-C4' energy: -56.931 flat angles C4'-P-C4' energy: -52.171 flat angles P-C4'-P energy: -38.280 tors. eta vs tors. theta energy: -64.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -640.288149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.288149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.288149 (E_RNA) where: Base-Base interactions energy: -408.645 where: short stacking energy: -201.124 Base-Backbone interact. energy: -1.338 local terms energy: -230.304983 where: bonds (distance) C4'-P energy: -47.849 bonds (distance) P-C4' energy: -55.043 flat angles C4'-P-C4' energy: -67.057 flat angles P-C4'-P energy: -34.997 tors. eta vs tors. theta energy: -25.360 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: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -632.300160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.300160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.300160 (E_RNA) where: Base-Base interactions energy: -371.087 where: short stacking energy: -213.351 Base-Backbone interact. energy: 0.553 local terms energy: -261.766223 where: bonds (distance) C4'-P energy: -59.516 bonds (distance) P-C4' energy: -54.732 flat angles C4'-P-C4' energy: -63.760 flat angles P-C4'-P energy: -39.398 tors. eta vs tors. theta energy: -44.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -375.821397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.821397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.821397 (E_RNA) where: Base-Base interactions energy: -178.481 where: short stacking energy: -113.705 Base-Backbone interact. energy: -0.694 local terms energy: -196.646640 where: bonds (distance) C4'-P energy: -61.212 bonds (distance) P-C4' energy: -52.271 flat angles C4'-P-C4' energy: -49.541 flat angles P-C4'-P energy: -24.024 tors. eta vs tors. theta energy: -9.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -286.678980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.678980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.678980 (E_RNA) where: Base-Base interactions energy: -102.066 where: short stacking energy: -91.328 Base-Backbone interact. energy: -0.533 local terms energy: -184.079486 where: bonds (distance) C4'-P energy: -65.491 bonds (distance) P-C4' energy: -52.807 flat angles C4'-P-C4' energy: -39.673 flat angles P-C4'-P energy: -33.296 tors. eta vs tors. theta energy: 7.188 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: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1168.853772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.853772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.853772 (E_RNA) where: Base-Base interactions energy: -799.605 where: short stacking energy: -366.136 Base-Backbone interact. energy: 0.814 local terms energy: -370.063161 where: bonds (distance) C4'-P energy: -66.321 bonds (distance) P-C4' energy: -74.046 flat angles C4'-P-C4' energy: -78.737 flat angles P-C4'-P energy: -51.138 tors. eta vs tors. theta energy: -99.821 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: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1119.883739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.883739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.883739 (E_RNA) where: Base-Base interactions energy: -756.219 where: short stacking energy: -341.679 Base-Backbone interact. energy: 0.016 local terms energy: -363.680996 where: bonds (distance) C4'-P energy: -66.202 bonds (distance) P-C4' energy: -72.135 flat angles C4'-P-C4' energy: -80.372 flat angles P-C4'-P energy: -53.019 tors. eta vs tors. theta energy: -91.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1051.978271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.978271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.978271 (E_RNA) where: Base-Base interactions energy: -702.273 where: short stacking energy: -307.544 Base-Backbone interact. energy: -0.699 local terms energy: -349.005705 where: bonds (distance) C4'-P energy: -64.769 bonds (distance) P-C4' energy: -70.201 flat angles C4'-P-C4' energy: -74.748 flat angles P-C4'-P energy: -52.936 tors. eta vs tors. theta energy: -86.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1021.068908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.068908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.068908 (E_RNA) where: Base-Base interactions energy: -677.739 where: short stacking energy: -335.753 Base-Backbone interact. energy: -0.626 local terms energy: -342.703915 where: bonds (distance) C4'-P energy: -62.385 bonds (distance) P-C4' energy: -57.668 flat angles C4'-P-C4' energy: -74.257 flat angles P-C4'-P energy: -47.157 tors. eta vs tors. theta energy: -101.236 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: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -941.011809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.011809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.011809 (E_RNA) where: Base-Base interactions energy: -618.593 where: short stacking energy: -290.840 Base-Backbone interact. energy: -0.491 local terms energy: -321.927879 where: bonds (distance) C4'-P energy: -59.951 bonds (distance) P-C4' energy: -56.796 flat angles C4'-P-C4' energy: -64.992 flat angles P-C4'-P energy: -53.755 tors. eta vs tors. theta energy: -86.435 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: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -869.945445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.945445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.945445 (E_RNA) where: Base-Base interactions energy: -584.761 where: short stacking energy: -256.336 Base-Backbone interact. energy: -0.910 local terms energy: -284.274795 where: bonds (distance) C4'-P energy: -60.960 bonds (distance) P-C4' energy: -51.368 flat angles C4'-P-C4' energy: -62.182 flat angles P-C4'-P energy: -39.399 tors. eta vs tors. theta energy: -70.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -643.916140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.916140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.916140 (E_RNA) where: Base-Base interactions energy: -393.660 where: short stacking energy: -185.357 Base-Backbone interact. energy: -0.052 local terms energy: -250.204035 where: bonds (distance) C4'-P energy: -60.746 bonds (distance) P-C4' energy: -71.387 flat angles C4'-P-C4' energy: -57.132 flat angles P-C4'-P energy: -33.038 tors. eta vs tors. theta energy: -27.901 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: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -650.192951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.192951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.192951 (E_RNA) where: Base-Base interactions energy: -372.076 where: short stacking energy: -216.374 Base-Backbone interact. energy: -0.146 local terms energy: -277.971364 where: bonds (distance) C4'-P energy: -66.943 bonds (distance) P-C4' energy: -54.907 flat angles C4'-P-C4' energy: -71.732 flat angles P-C4'-P energy: -32.647 tors. eta vs tors. theta energy: -51.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -363.354500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.354500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.354500 (E_RNA) where: Base-Base interactions energy: -174.866 where: short stacking energy: -112.166 Base-Backbone interact. energy: 1.708 local terms energy: -190.196146 where: bonds (distance) C4'-P energy: -50.781 bonds (distance) P-C4' energy: -57.176 flat angles C4'-P-C4' energy: -67.492 flat angles P-C4'-P energy: -17.072 tors. eta vs tors. theta energy: 2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -286.553279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.553279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.553279 (E_RNA) where: Base-Base interactions energy: -97.263 where: short stacking energy: -87.616 Base-Backbone interact. energy: -0.748 local terms energy: -188.542176 where: bonds (distance) C4'-P energy: -62.266 bonds (distance) P-C4' energy: -70.720 flat angles C4'-P-C4' energy: -43.631 flat angles P-C4'-P energy: -19.870 tors. eta vs tors. theta energy: 7.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1180.758296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.758296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.758296 (E_RNA) where: Base-Base interactions energy: -790.115 where: short stacking energy: -347.724 Base-Backbone interact. energy: -1.771 local terms energy: -388.872245 where: bonds (distance) C4'-P energy: -79.389 bonds (distance) P-C4' energy: -76.417 flat angles C4'-P-C4' energy: -79.666 flat angles P-C4'-P energy: -53.380 tors. eta vs tors. theta energy: -100.019 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: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1121.732837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.732837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.732837 (E_RNA) where: Base-Base interactions energy: -759.092 where: short stacking energy: -352.569 Base-Backbone interact. energy: -1.417 local terms energy: -361.224054 where: bonds (distance) C4'-P energy: -72.469 bonds (distance) P-C4' energy: -73.091 flat angles C4'-P-C4' energy: -74.293 flat angles P-C4'-P energy: -45.730 tors. eta vs tors. theta energy: -95.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1051.908392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.908392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.908392 (E_RNA) where: Base-Base interactions energy: -706.536 where: short stacking energy: -315.464 Base-Backbone interact. energy: 2.643 local terms energy: -348.015893 where: bonds (distance) C4'-P energy: -72.202 bonds (distance) P-C4' energy: -65.843 flat angles C4'-P-C4' energy: -78.177 flat angles P-C4'-P energy: -40.466 tors. eta vs tors. theta energy: -91.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1005.317320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.317320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.317320 (E_RNA) where: Base-Base interactions energy: -656.252 where: short stacking energy: -307.544 Base-Backbone interact. energy: 0.340 local terms energy: -349.405353 where: bonds (distance) C4'-P energy: -68.745 bonds (distance) P-C4' energy: -68.554 flat angles C4'-P-C4' energy: -73.833 flat angles P-C4'-P energy: -54.916 tors. eta vs tors. theta energy: -83.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -940.415353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.415353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.415353 (E_RNA) where: Base-Base interactions energy: -618.502 where: short stacking energy: -303.064 Base-Backbone interact. energy: -1.004 local terms energy: -320.909082 where: bonds (distance) C4'-P energy: -56.115 bonds (distance) P-C4' energy: -69.568 flat angles C4'-P-C4' energy: -67.625 flat angles P-C4'-P energy: -42.260 tors. eta vs tors. theta energy: -85.340 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: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -887.078233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.078233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.078233 (E_RNA) where: Base-Base interactions energy: -588.511 where: short stacking energy: -292.332 Base-Backbone interact. energy: 0.127 local terms energy: -298.694520 where: bonds (distance) C4'-P energy: -60.877 bonds (distance) P-C4' energy: -53.047 flat angles C4'-P-C4' energy: -74.846 flat angles P-C4'-P energy: -32.148 tors. eta vs tors. theta energy: -77.776 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: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -651.828670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.828670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.828670 (E_RNA) where: Base-Base interactions energy: -391.018 where: short stacking energy: -203.028 Base-Backbone interact. energy: -0.429 local terms energy: -260.382371 where: bonds (distance) C4'-P energy: -57.156 bonds (distance) P-C4' energy: -70.048 flat angles C4'-P-C4' energy: -52.690 flat angles P-C4'-P energy: -40.597 tors. eta vs tors. theta energy: -39.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -611.849627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.849627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.849627 (E_RNA) where: Base-Base interactions energy: -384.565 where: short stacking energy: -187.094 Base-Backbone interact. energy: -0.537 local terms energy: -226.746985 where: bonds (distance) C4'-P energy: -53.629 bonds (distance) P-C4' energy: -48.642 flat angles C4'-P-C4' energy: -56.861 flat angles P-C4'-P energy: -31.323 tors. eta vs tors. theta energy: -36.292 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: 9, replica: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -370.985985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.985985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.985985 (E_RNA) where: Base-Base interactions energy: -151.529 where: short stacking energy: -99.447 Base-Backbone interact. energy: -0.952 local terms energy: -218.504499 where: bonds (distance) C4'-P energy: -52.820 bonds (distance) P-C4' energy: -68.694 flat angles C4'-P-C4' energy: -56.947 flat angles P-C4'-P energy: -30.055 tors. eta vs tors. theta energy: -9.988 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: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -290.854363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.854363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.854363 (E_RNA) where: Base-Base interactions energy: -105.468 where: short stacking energy: -73.853 Base-Backbone interact. energy: -0.200 local terms energy: -185.186034 where: bonds (distance) C4'-P energy: -44.167 bonds (distance) P-C4' energy: -75.069 flat angles C4'-P-C4' energy: -34.555 flat angles P-C4'-P energy: -33.010 tors. eta vs tors. theta energy: 1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1164.910122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.910122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.910122 (E_RNA) where: Base-Base interactions energy: -788.186 where: short stacking energy: -347.735 Base-Backbone interact. energy: 1.254 local terms energy: -377.978328 where: bonds (distance) C4'-P energy: -66.457 bonds (distance) P-C4' energy: -74.851 flat angles C4'-P-C4' energy: -78.777 flat angles P-C4'-P energy: -51.269 tors. eta vs tors. theta energy: -106.624 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: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1144.078341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.078341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.078341 (E_RNA) where: Base-Base interactions energy: -776.965 where: short stacking energy: -343.831 Base-Backbone interact. energy: -1.234 local terms energy: -365.879730 where: bonds (distance) C4'-P energy: -72.029 bonds (distance) P-C4' energy: -66.776 flat angles C4'-P-C4' energy: -75.005 flat angles P-C4'-P energy: -52.291 tors. eta vs tors. theta energy: -99.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1050.076599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.076599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.076599 (E_RNA) where: Base-Base interactions energy: -702.151 where: short stacking energy: -315.358 Base-Backbone interact. energy: -1.947 local terms energy: -345.979148 where: bonds (distance) C4'-P energy: -58.249 bonds (distance) P-C4' energy: -74.093 flat angles C4'-P-C4' energy: -72.063 flat angles P-C4'-P energy: -52.777 tors. eta vs tors. theta energy: -88.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1011.172295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.172295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.172295 (E_RNA) where: Base-Base interactions energy: -658.316 where: short stacking energy: -302.282 Base-Backbone interact. energy: -0.947 local terms energy: -351.909644 where: bonds (distance) C4'-P energy: -68.702 bonds (distance) P-C4' energy: -67.658 flat angles C4'-P-C4' energy: -77.864 flat angles P-C4'-P energy: -52.857 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: 5, replica: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -957.016859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.016859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.016859 (E_RNA) where: Base-Base interactions energy: -625.661 where: short stacking energy: -290.200 Base-Backbone interact. energy: 0.014 local terms energy: -331.369427 where: bonds (distance) C4'-P energy: -76.226 bonds (distance) P-C4' energy: -69.402 flat angles C4'-P-C4' energy: -65.479 flat angles P-C4'-P energy: -46.501 tors. eta vs tors. theta energy: -73.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -910.917463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.917463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.917463 (E_RNA) where: Base-Base interactions energy: -595.513 where: short stacking energy: -279.274 Base-Backbone interact. energy: -0.722 local terms energy: -314.681763 where: bonds (distance) C4'-P energy: -58.967 bonds (distance) P-C4' energy: -70.984 flat angles C4'-P-C4' energy: -66.199 flat angles P-C4'-P energy: -39.317 tors. eta vs tors. theta energy: -79.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -658.771788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.771788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.771788 (E_RNA) where: Base-Base interactions energy: -387.229 where: short stacking energy: -185.947 Base-Backbone interact. energy: -0.161 local terms energy: -271.381005 where: bonds (distance) C4'-P energy: -52.148 bonds (distance) P-C4' energy: -74.104 flat angles C4'-P-C4' energy: -67.346 flat angles P-C4'-P energy: -42.527 tors. eta vs tors. theta energy: -35.257 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: 8, replica: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -610.312904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.312904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.312904 (E_RNA) where: Base-Base interactions energy: -375.453 where: short stacking energy: -199.047 Base-Backbone interact. energy: -0.255 local terms energy: -234.604873 where: bonds (distance) C4'-P energy: -61.865 bonds (distance) P-C4' energy: -55.281 flat angles C4'-P-C4' energy: -59.483 flat angles P-C4'-P energy: -15.735 tors. eta vs tors. theta energy: -42.240 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: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -328.748889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.748889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.748889 (E_RNA) where: Base-Base interactions energy: -118.913 where: short stacking energy: -107.263 Base-Backbone interact. energy: -1.047 local terms energy: -208.788791 where: bonds (distance) C4'-P energy: -54.696 bonds (distance) P-C4' energy: -58.533 flat angles C4'-P-C4' energy: -54.684 flat angles P-C4'-P energy: -32.880 tors. eta vs tors. theta energy: -7.996 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: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -313.102583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.102583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.102583 (E_RNA) where: Base-Base interactions energy: -123.980 where: short stacking energy: -87.457 Base-Backbone interact. energy: 0.731 local terms energy: -189.854279 where: bonds (distance) C4'-P energy: -55.719 bonds (distance) P-C4' energy: -53.830 flat angles C4'-P-C4' energy: -57.754 flat angles P-C4'-P energy: -35.586 tors. eta vs tors. theta energy: 13.035 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: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1144.833026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.833026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.833026 (E_RNA) where: Base-Base interactions energy: -772.351 where: short stacking energy: -359.613 Base-Backbone interact. energy: -1.473 local terms energy: -371.008927 where: bonds (distance) C4'-P energy: -70.442 bonds (distance) P-C4' energy: -66.004 flat angles C4'-P-C4' energy: -77.770 flat angles P-C4'-P energy: -51.540 tors. eta vs tors. theta energy: -105.253 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: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1130.558442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.558442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.558442 (E_RNA) where: Base-Base interactions energy: -760.741 where: short stacking energy: -333.819 Base-Backbone interact. energy: -1.159 local terms energy: -368.658107 where: bonds (distance) C4'-P energy: -69.520 bonds (distance) P-C4' energy: -66.460 flat angles C4'-P-C4' energy: -76.486 flat angles P-C4'-P energy: -55.743 tors. eta vs tors. theta energy: -100.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1069.916522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.916522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.916522 (E_RNA) where: Base-Base interactions energy: -702.361 where: short stacking energy: -349.011 Base-Backbone interact. energy: -0.822 local terms energy: -366.733301 where: bonds (distance) C4'-P energy: -70.485 bonds (distance) P-C4' energy: -61.231 flat angles C4'-P-C4' energy: -79.811 flat angles P-C4'-P energy: -53.191 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: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1025.388963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.388963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.388963 (E_RNA) where: Base-Base interactions energy: -688.376 where: short stacking energy: -311.652 Base-Backbone interact. energy: -1.384 local terms energy: -335.629403 where: bonds (distance) C4'-P energy: -59.707 bonds (distance) P-C4' energy: -68.289 flat angles C4'-P-C4' energy: -72.924 flat angles P-C4'-P energy: -45.252 tors. eta vs tors. theta energy: -89.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -954.659659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.659659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.659659 (E_RNA) where: Base-Base interactions energy: -648.986 where: short stacking energy: -299.928 Base-Backbone interact. energy: -0.794 local terms energy: -304.879467 where: bonds (distance) C4'-P energy: -54.637 bonds (distance) P-C4' energy: -60.414 flat angles C4'-P-C4' energy: -72.137 flat angles P-C4'-P energy: -43.507 tors. eta vs tors. theta energy: -74.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -886.205073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.205073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.205073 (E_RNA) where: Base-Base interactions energy: -600.206 where: short stacking energy: -263.444 Base-Backbone interact. energy: 0.528 local terms energy: -286.527378 where: bonds (distance) C4'-P energy: -70.152 bonds (distance) P-C4' energy: -52.616 flat angles C4'-P-C4' energy: -63.931 flat angles P-C4'-P energy: -38.078 tors. eta vs tors. theta energy: -61.751 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: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -615.735357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.735357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.735357 (E_RNA) where: Base-Base interactions energy: -350.092 where: short stacking energy: -199.331 Base-Backbone interact. energy: 2.326 local terms energy: -267.969789 where: bonds (distance) C4'-P energy: -62.299 bonds (distance) P-C4' energy: -61.448 flat angles C4'-P-C4' energy: -55.258 flat angles P-C4'-P energy: -44.114 tors. eta vs tors. theta energy: -44.851 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: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -586.646974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.646974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.646974 (E_RNA) where: Base-Base interactions energy: -346.776 where: short stacking energy: -166.018 Base-Backbone interact. energy: -0.995 local terms energy: -238.875683 where: bonds (distance) C4'-P energy: -48.194 bonds (distance) P-C4' energy: -77.096 flat angles C4'-P-C4' energy: -50.386 flat angles P-C4'-P energy: -28.691 tors. eta vs tors. theta energy: -34.509 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: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -343.861578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.861578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.861578 (E_RNA) where: Base-Base interactions energy: -138.908 where: short stacking energy: -105.907 Base-Backbone interact. energy: 1.429 local terms energy: -206.382521 where: bonds (distance) C4'-P energy: -63.177 bonds (distance) P-C4' energy: -62.393 flat angles C4'-P-C4' energy: -47.462 flat angles P-C4'-P energy: -34.756 tors. eta vs tors. theta energy: 1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -297.652029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.652029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.652029 (E_RNA) where: Base-Base interactions energy: -105.023 where: short stacking energy: -80.783 Base-Backbone interact. energy: -1.311 local terms energy: -191.318532 where: bonds (distance) C4'-P energy: -52.701 bonds (distance) P-C4' energy: -66.876 flat angles C4'-P-C4' energy: -45.390 flat angles P-C4'-P energy: -24.744 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: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1161.992888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.992888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.992888 (E_RNA) where: Base-Base interactions energy: -782.811 where: short stacking energy: -358.685 Base-Backbone interact. energy: -0.521 local terms energy: -378.660896 where: bonds (distance) C4'-P energy: -74.765 bonds (distance) P-C4' energy: -72.841 flat angles C4'-P-C4' energy: -82.535 flat angles P-C4'-P energy: -49.817 tors. eta vs tors. theta energy: -98.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1141.726480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.726480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.726480 (E_RNA) where: Base-Base interactions energy: -778.393 where: short stacking energy: -361.478 Base-Backbone interact. energy: -1.552 local terms energy: -361.780831 where: bonds (distance) C4'-P energy: -53.555 bonds (distance) P-C4' energy: -70.386 flat angles C4'-P-C4' energy: -80.062 flat angles P-C4'-P energy: -53.831 tors. eta vs tors. theta energy: -103.947 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: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1086.026222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.026222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.026222 (E_RNA) where: Base-Base interactions energy: -723.668 where: short stacking energy: -341.800 Base-Backbone interact. energy: 0.578 local terms energy: -362.935808 where: bonds (distance) C4'-P energy: -74.480 bonds (distance) P-C4' energy: -71.596 flat angles C4'-P-C4' energy: -77.687 flat angles P-C4'-P energy: -50.189 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: 4, replica: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1004.167067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.167067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.167067 (E_RNA) where: Base-Base interactions energy: -667.248 where: short stacking energy: -319.252 Base-Backbone interact. energy: -0.252 local terms energy: -336.667471 where: bonds (distance) C4'-P energy: -66.243 bonds (distance) P-C4' energy: -66.045 flat angles C4'-P-C4' energy: -71.043 flat angles P-C4'-P energy: -46.256 tors. eta vs tors. theta energy: -87.080 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: 4 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -954.233507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.233507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.233507 (E_RNA) where: Base-Base interactions energy: -641.282 where: short stacking energy: -284.984 Base-Backbone interact. energy: -1.129 local terms energy: -311.822209 where: bonds (distance) C4'-P energy: -64.287 bonds (distance) P-C4' energy: -54.927 flat angles C4'-P-C4' energy: -69.655 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -71.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -842.610495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.610495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.610495 (E_RNA) where: Base-Base interactions energy: -556.924 where: short stacking energy: -254.189 Base-Backbone interact. energy: -0.153 local terms energy: -285.533491 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -67.158 flat angles C4'-P-C4' energy: -67.414 flat angles P-C4'-P energy: -31.588 tors. eta vs tors. theta energy: -56.760 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: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -637.292506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.292506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.292506 (E_RNA) where: Base-Base interactions energy: -373.016 where: short stacking energy: -187.863 Base-Backbone interact. energy: -0.603 local terms energy: -263.673775 where: bonds (distance) C4'-P energy: -57.448 bonds (distance) P-C4' energy: -60.721 flat angles C4'-P-C4' energy: -50.119 flat angles P-C4'-P energy: -47.871 tors. eta vs tors. theta energy: -47.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -595.836779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.836779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.836779 (E_RNA) where: Base-Base interactions energy: -342.642 where: short stacking energy: -184.349 Base-Backbone interact. energy: -1.613 local terms energy: -251.581288 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -62.438 flat angles C4'-P-C4' energy: -61.530 flat angles P-C4'-P energy: -36.408 tors. eta vs tors. theta energy: -39.668 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: 7 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -355.919239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.919239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.919239 (E_RNA) where: Base-Base interactions energy: -145.233 where: short stacking energy: -93.832 Base-Backbone interact. energy: -0.579 local terms energy: -210.107272 where: bonds (distance) C4'-P energy: -66.821 bonds (distance) P-C4' energy: -54.537 flat angles C4'-P-C4' energy: -57.446 flat angles P-C4'-P energy: -31.985 tors. eta vs tors. theta energy: 0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -290.217386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.217386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.217386 (E_RNA) where: Base-Base interactions energy: -81.609 where: short stacking energy: -77.371 Base-Backbone interact. energy: 0.341 local terms energy: -208.949433 where: bonds (distance) C4'-P energy: -59.417 bonds (distance) P-C4' energy: -71.319 flat angles C4'-P-C4' energy: -52.595 flat angles P-C4'-P energy: -37.523 tors. eta vs tors. theta energy: 11.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1155.523563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.523563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.523563 (E_RNA) where: Base-Base interactions energy: -780.867 where: short stacking energy: -362.010 Base-Backbone interact. energy: -1.033 local terms energy: -373.623222 where: bonds (distance) C4'-P energy: -61.907 bonds (distance) P-C4' energy: -76.764 flat angles C4'-P-C4' energy: -75.100 flat angles P-C4'-P energy: -56.581 tors. eta vs tors. theta energy: -103.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1146.343583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.343583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.343583 (E_RNA) where: Base-Base interactions energy: -769.918 where: short stacking energy: -355.544 Base-Backbone interact. energy: -1.596 local terms energy: -374.830278 where: bonds (distance) C4'-P energy: -66.890 bonds (distance) P-C4' energy: -74.206 flat angles C4'-P-C4' energy: -77.096 flat angles P-C4'-P energy: -45.502 tors. eta vs tors. theta energy: -111.137 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: 3, replica: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1073.952785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.952785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.952785 (E_RNA) where: Base-Base interactions energy: -705.368 where: short stacking energy: -345.306 Base-Backbone interact. energy: -0.091 local terms energy: -368.493360 where: bonds (distance) C4'-P energy: -59.631 bonds (distance) P-C4' energy: -79.424 flat angles C4'-P-C4' energy: -77.725 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -99.996 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: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -988.937883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.937883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.937883 (E_RNA) where: Base-Base interactions energy: -666.583 where: short stacking energy: -304.709 Base-Backbone interact. energy: -0.741 local terms energy: -321.613326 where: bonds (distance) C4'-P energy: -56.319 bonds (distance) P-C4' energy: -68.418 flat angles C4'-P-C4' energy: -71.622 flat angles P-C4'-P energy: -43.612 tors. eta vs tors. theta energy: -81.642 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: 426 Temperature: 1.100000 Total energy: -942.411190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.411190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.411190 (E_RNA) where: Base-Base interactions energy: -613.242 where: short stacking energy: -282.192 Base-Backbone interact. energy: -0.378 local terms energy: -328.790850 where: bonds (distance) C4'-P energy: -54.951 bonds (distance) P-C4' energy: -62.511 flat angles C4'-P-C4' energy: -78.938 flat angles P-C4'-P energy: -51.500 tors. eta vs tors. theta energy: -80.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -860.146547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.146547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.146547 (E_RNA) where: Base-Base interactions energy: -553.989 where: short stacking energy: -256.301 Base-Backbone interact. energy: 0.915 local terms energy: -307.072399 where: bonds (distance) C4'-P energy: -64.360 bonds (distance) P-C4' energy: -69.111 flat angles C4'-P-C4' energy: -75.013 flat angles P-C4'-P energy: -38.995 tors. eta vs tors. theta energy: -59.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -652.024572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.024572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.024572 (E_RNA) where: Base-Base interactions energy: -387.221 where: short stacking energy: -212.740 Base-Backbone interact. energy: -1.558 local terms energy: -263.245313 where: bonds (distance) C4'-P energy: -52.922 bonds (distance) P-C4' energy: -61.899 flat angles C4'-P-C4' energy: -60.514 flat angles P-C4'-P energy: -40.504 tors. eta vs tors. theta energy: -47.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -607.640284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.640284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.640284 (E_RNA) where: Base-Base interactions energy: -353.849 where: short stacking energy: -177.247 Base-Backbone interact. energy: 1.048 local terms energy: -254.839826 where: bonds (distance) C4'-P energy: -56.978 bonds (distance) P-C4' energy: -62.226 flat angles C4'-P-C4' energy: -58.017 flat angles P-C4'-P energy: -40.320 tors. eta vs tors. theta energy: -37.299 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: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -290.536289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.536289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.536289 (E_RNA) where: Base-Base interactions energy: -104.548 where: short stacking energy: -91.455 Base-Backbone interact. energy: -1.192 local terms energy: -184.796367 where: bonds (distance) C4'-P energy: -52.916 bonds (distance) P-C4' energy: -62.615 flat angles C4'-P-C4' energy: -41.800 flat angles P-C4'-P energy: -31.094 tors. eta vs tors. theta energy: 3.628 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: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -306.640085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.640085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.640085 (E_RNA) where: Base-Base interactions energy: -104.044 where: short stacking energy: -88.396 Base-Backbone interact. energy: 0.389 local terms energy: -202.984604 where: bonds (distance) C4'-P energy: -57.279 bonds (distance) P-C4' energy: -63.492 flat angles C4'-P-C4' energy: -51.783 flat angles P-C4'-P energy: -29.600 tors. eta vs tors. theta energy: -0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1168.837573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.837573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.837573 (E_RNA) where: Base-Base interactions energy: -793.579 where: short stacking energy: -369.902 Base-Backbone interact. energy: 0.188 local terms energy: -375.446915 where: bonds (distance) C4'-P energy: -71.692 bonds (distance) P-C4' energy: -57.829 flat angles C4'-P-C4' energy: -76.469 flat angles P-C4'-P energy: -58.520 tors. eta vs tors. theta energy: -110.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1158.823875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.823875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.823875 (E_RNA) where: Base-Base interactions energy: -773.470 where: short stacking energy: -351.432 Base-Backbone interact. energy: -1.282 local terms energy: -384.072563 where: bonds (distance) C4'-P energy: -73.908 bonds (distance) P-C4' energy: -70.781 flat angles C4'-P-C4' energy: -77.100 flat angles P-C4'-P energy: -58.305 tors. eta vs tors. theta energy: -103.979 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: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1048.473886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.473886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.473886 (E_RNA) where: Base-Base interactions energy: -708.114 where: short stacking energy: -336.129 Base-Backbone interact. energy: 0.652 local terms energy: -341.011011 where: bonds (distance) C4'-P energy: -70.362 bonds (distance) P-C4' energy: -53.108 flat angles C4'-P-C4' energy: -73.346 flat angles P-C4'-P energy: -45.106 tors. eta vs tors. theta energy: -99.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -995.497920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.497920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.497920 (E_RNA) where: Base-Base interactions energy: -645.277 where: short stacking energy: -296.471 Base-Backbone interact. energy: -1.988 local terms energy: -348.233359 where: bonds (distance) C4'-P energy: -63.713 bonds (distance) P-C4' energy: -77.952 flat angles C4'-P-C4' energy: -76.696 flat angles P-C4'-P energy: -41.706 tors. eta vs tors. theta energy: -88.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -934.764465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.764465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.764465 (E_RNA) where: Base-Base interactions energy: -626.293 where: short stacking energy: -291.942 Base-Backbone interact. energy: -0.981 local terms energy: -307.490468 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -72.529 flat angles C4'-P-C4' energy: -60.384 flat angles P-C4'-P energy: -38.505 tors. eta vs tors. theta energy: -83.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -855.322955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.322955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.322955 (E_RNA) where: Base-Base interactions energy: -574.568 where: short stacking energy: -278.907 Base-Backbone interact. energy: 0.461 local terms energy: -281.216439 where: bonds (distance) C4'-P energy: -50.215 bonds (distance) P-C4' energy: -56.897 flat angles C4'-P-C4' energy: -61.739 flat angles P-C4'-P energy: -40.863 tors. eta vs tors. theta energy: -71.502 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: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -668.652153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.652153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.652153 (E_RNA) where: Base-Base interactions energy: -409.813 where: short stacking energy: -219.155 Base-Backbone interact. energy: -0.386 local terms energy: -258.453016 where: bonds (distance) C4'-P energy: -46.403 bonds (distance) P-C4' energy: -64.766 flat angles C4'-P-C4' energy: -56.097 flat angles P-C4'-P energy: -37.547 tors. eta vs tors. theta energy: -53.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -569.691044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.691044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.691044 (E_RNA) where: Base-Base interactions energy: -354.036 where: short stacking energy: -159.143 Base-Backbone interact. energy: -0.832 local terms energy: -214.823247 where: bonds (distance) C4'-P energy: -46.077 bonds (distance) P-C4' energy: -58.155 flat angles C4'-P-C4' energy: -55.473 flat angles P-C4'-P energy: -27.689 tors. eta vs tors. theta energy: -27.429 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: 9, replica: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -304.016359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.016359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.016359 (E_RNA) where: Base-Base interactions energy: -111.945 where: short stacking energy: -99.068 Base-Backbone interact. energy: 0.519 local terms energy: -192.589916 where: bonds (distance) C4'-P energy: -45.365 bonds (distance) P-C4' energy: -68.137 flat angles C4'-P-C4' energy: -50.405 flat angles P-C4'-P energy: -25.500 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -284.842601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.842601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.842601 (E_RNA) where: Base-Base interactions energy: -93.459 where: short stacking energy: -86.113 Base-Backbone interact. energy: 0.123 local terms energy: -191.506500 where: bonds (distance) C4'-P energy: -56.529 bonds (distance) P-C4' energy: -59.307 flat angles C4'-P-C4' energy: -55.869 flat angles P-C4'-P energy: -22.984 tors. eta vs tors. theta energy: 3.183 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: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1178.660414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.660414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.660414 (E_RNA) where: Base-Base interactions energy: -806.813 where: short stacking energy: -363.397 Base-Backbone interact. energy: 0.365 local terms energy: -372.211905 where: bonds (distance) C4'-P energy: -63.106 bonds (distance) P-C4' energy: -69.006 flat angles C4'-P-C4' energy: -77.845 flat angles P-C4'-P energy: -53.724 tors. eta vs tors. theta energy: -108.530 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: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1157.899052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.899052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.899052 (E_RNA) where: Base-Base interactions energy: -789.245 where: short stacking energy: -351.539 Base-Backbone interact. energy: -2.313 local terms energy: -366.341070 where: bonds (distance) C4'-P energy: -60.246 bonds (distance) P-C4' energy: -67.753 flat angles C4'-P-C4' energy: -81.100 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: -106.727 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: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1050.294489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.294489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.294489 (E_RNA) where: Base-Base interactions energy: -702.640 where: short stacking energy: -341.974 Base-Backbone interact. energy: -0.822 local terms energy: -346.833047 where: bonds (distance) C4'-P energy: -65.359 bonds (distance) P-C4' energy: -66.646 flat angles C4'-P-C4' energy: -73.856 flat angles P-C4'-P energy: -40.530 tors. eta vs tors. theta energy: -100.442 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: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -998.210725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.210725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.210725 (E_RNA) where: Base-Base interactions energy: -648.955 where: short stacking energy: -306.089 Base-Backbone interact. energy: -1.410 local terms energy: -347.846524 where: bonds (distance) C4'-P energy: -70.110 bonds (distance) P-C4' energy: -66.281 flat angles C4'-P-C4' energy: -68.525 flat angles P-C4'-P energy: -51.968 tors. eta vs tors. theta energy: -90.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -955.842004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.842004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.842004 (E_RNA) where: Base-Base interactions energy: -628.064 where: short stacking energy: -286.318 Base-Backbone interact. energy: 0.860 local terms energy: -328.638790 where: bonds (distance) C4'-P energy: -65.549 bonds (distance) P-C4' energy: -70.373 flat angles C4'-P-C4' energy: -73.389 flat angles P-C4'-P energy: -42.218 tors. eta vs tors. theta energy: -77.111 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: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -829.124478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.124478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.124478 (E_RNA) where: Base-Base interactions energy: -548.600 where: short stacking energy: -249.645 Base-Backbone interact. energy: -1.119 local terms energy: -279.405998 where: bonds (distance) C4'-P energy: -58.054 bonds (distance) P-C4' energy: -56.760 flat angles C4'-P-C4' energy: -67.987 flat angles P-C4'-P energy: -34.829 tors. eta vs tors. theta energy: -61.776 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: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -677.422003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.422003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.422003 (E_RNA) where: Base-Base interactions energy: -392.704 where: short stacking energy: -210.640 Base-Backbone interact. energy: 0.880 local terms energy: -285.597486 where: bonds (distance) C4'-P energy: -60.494 bonds (distance) P-C4' energy: -69.415 flat angles C4'-P-C4' energy: -64.702 flat angles P-C4'-P energy: -31.245 tors. eta vs tors. theta energy: -59.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -597.051181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.051181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.051181 (E_RNA) where: Base-Base interactions energy: -341.504 where: short stacking energy: -180.570 Base-Backbone interact. energy: 1.210 local terms energy: -256.756695 where: bonds (distance) C4'-P energy: -61.922 bonds (distance) P-C4' energy: -63.841 flat angles C4'-P-C4' energy: -64.318 flat angles P-C4'-P energy: -41.209 tors. eta vs tors. theta energy: -25.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -297.054374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.054374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.054374 (E_RNA) where: Base-Base interactions energy: -82.772 where: short stacking energy: -71.487 Base-Backbone interact. energy: 4.052 local terms energy: -218.334832 where: bonds (distance) C4'-P energy: -58.018 bonds (distance) P-C4' energy: -67.911 flat angles C4'-P-C4' energy: -59.678 flat angles P-C4'-P energy: -40.263 tors. eta vs tors. theta energy: 7.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -293.812578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.812578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.812578 (E_RNA) where: Base-Base interactions energy: -87.700 where: short stacking energy: -80.003 Base-Backbone interact. energy: -0.666 local terms energy: -205.446588 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -67.576 flat angles C4'-P-C4' energy: -42.596 flat angles P-C4'-P energy: -43.250 tors. eta vs tors. theta energy: 10.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1157.148083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.148083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.148083 (E_RNA) where: Base-Base interactions energy: -776.434 where: short stacking energy: -358.639 Base-Backbone interact. energy: 0.202 local terms energy: -380.915261 where: bonds (distance) C4'-P energy: -70.320 bonds (distance) P-C4' energy: -73.064 flat angles C4'-P-C4' energy: -79.485 flat angles P-C4'-P energy: -55.124 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: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1159.968088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.968088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.968088 (E_RNA) where: Base-Base interactions energy: -776.879 where: short stacking energy: -347.230 Base-Backbone interact. energy: -2.100 local terms energy: -380.988452 where: bonds (distance) C4'-P energy: -76.233 bonds (distance) P-C4' energy: -69.526 flat angles C4'-P-C4' energy: -84.597 flat angles P-C4'-P energy: -46.819 tors. eta vs tors. theta energy: -103.814 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: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1049.757616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.757616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.757616 (E_RNA) where: Base-Base interactions energy: -684.172 where: short stacking energy: -342.408 Base-Backbone interact. energy: 0.087 local terms energy: -365.672671 where: bonds (distance) C4'-P energy: -70.297 bonds (distance) P-C4' energy: -73.064 flat angles C4'-P-C4' energy: -75.289 flat angles P-C4'-P energy: -45.551 tors. eta vs tors. theta energy: -101.471 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: 429 Temperature: 1.050000 Total energy: -991.272599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.272599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.272599 (E_RNA) where: Base-Base interactions energy: -663.754 where: short stacking energy: -318.893 Base-Backbone interact. energy: -1.225 local terms energy: -326.293581 where: bonds (distance) C4'-P energy: -62.825 bonds (distance) P-C4' energy: -58.192 flat angles C4'-P-C4' energy: -73.545 flat angles P-C4'-P energy: -46.426 tors. eta vs tors. theta energy: -85.306 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: 5, replica: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -974.122180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.122180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.122180 (E_RNA) where: Base-Base interactions energy: -635.518 where: short stacking energy: -306.494 Base-Backbone interact. energy: -0.512 local terms energy: -338.091497 where: bonds (distance) C4'-P energy: -63.226 bonds (distance) P-C4' energy: -65.593 flat angles C4'-P-C4' energy: -72.376 flat angles P-C4'-P energy: -51.381 tors. eta vs tors. theta energy: -85.516 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: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -874.953679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.953679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.953679 (E_RNA) where: Base-Base interactions energy: -569.351 where: short stacking energy: -247.672 Base-Backbone interact. energy: -2.351 local terms energy: -303.251962 where: bonds (distance) C4'-P energy: -51.835 bonds (distance) P-C4' energy: -60.949 flat angles C4'-P-C4' energy: -68.052 flat angles P-C4'-P energy: -54.940 tors. eta vs tors. theta energy: -67.477 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: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -652.962123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.962123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.962123 (E_RNA) where: Base-Base interactions energy: -377.020 where: short stacking energy: -201.789 Base-Backbone interact. energy: -0.972 local terms energy: -274.970108 where: bonds (distance) C4'-P energy: -65.437 bonds (distance) P-C4' energy: -52.076 flat angles C4'-P-C4' energy: -70.398 flat angles P-C4'-P energy: -43.249 tors. eta vs tors. theta energy: -43.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -624.723489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.723489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.723489 (E_RNA) where: Base-Base interactions energy: -371.525 where: short stacking energy: -184.219 Base-Backbone interact. energy: 0.772 local terms energy: -253.970693 where: bonds (distance) C4'-P energy: -48.999 bonds (distance) P-C4' energy: -64.922 flat angles C4'-P-C4' energy: -66.967 flat angles P-C4'-P energy: -35.830 tors. eta vs tors. theta energy: -37.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -348.308989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.308989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.308989 (E_RNA) where: Base-Base interactions energy: -149.888 where: short stacking energy: -108.789 Base-Backbone interact. energy: 0.637 local terms energy: -199.057923 where: bonds (distance) C4'-P energy: -55.254 bonds (distance) P-C4' energy: -67.144 flat angles C4'-P-C4' energy: -38.259 flat angles P-C4'-P energy: -29.383 tors. eta vs tors. theta energy: -9.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -270.392914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.392914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.392914 (E_RNA) where: Base-Base interactions energy: -85.035 where: short stacking energy: -82.054 Base-Backbone interact. energy: 0.832 local terms energy: -186.189831 where: bonds (distance) C4'-P energy: -60.493 bonds (distance) P-C4' energy: -63.283 flat angles C4'-P-C4' energy: -45.495 flat angles P-C4'-P energy: -22.819 tors. eta vs tors. theta energy: 5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1168.452539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.452539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.452539 (E_RNA) where: Base-Base interactions energy: -799.683 where: short stacking energy: -354.993 Base-Backbone interact. energy: -0.494 local terms energy: -368.274925 where: bonds (distance) C4'-P energy: -62.537 bonds (distance) P-C4' energy: -66.894 flat angles C4'-P-C4' energy: -76.832 flat angles P-C4'-P energy: -56.646 tors. eta vs tors. theta energy: -105.366 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: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1143.202322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.202322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.202322 (E_RNA) where: Base-Base interactions energy: -782.372 where: short stacking energy: -363.150 Base-Backbone interact. energy: 0.097 local terms energy: -360.927083 where: bonds (distance) C4'-P energy: -65.042 bonds (distance) P-C4' energy: -64.197 flat angles C4'-P-C4' energy: -80.270 flat angles P-C4'-P energy: -48.198 tors. eta vs tors. theta energy: -103.220 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: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1040.374766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.374766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.374766 (E_RNA) where: Base-Base interactions energy: -684.696 where: short stacking energy: -313.319 Base-Backbone interact. energy: -0.691 local terms energy: -354.987464 where: bonds (distance) C4'-P energy: -63.808 bonds (distance) P-C4' energy: -68.953 flat angles C4'-P-C4' energy: -75.344 flat angles P-C4'-P energy: -54.953 tors. eta vs tors. theta energy: -91.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -999.528506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.528506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.528506 (E_RNA) where: Base-Base interactions energy: -657.489 where: short stacking energy: -308.032 Base-Backbone interact. energy: -0.162 local terms energy: -341.877322 where: bonds (distance) C4'-P energy: -60.682 bonds (distance) P-C4' energy: -70.819 flat angles C4'-P-C4' energy: -68.179 flat angles P-C4'-P energy: -51.837 tors. eta vs tors. theta energy: -90.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -963.531416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.531416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.531416 (E_RNA) where: Base-Base interactions energy: -632.547 where: short stacking energy: -300.865 Base-Backbone interact. energy: -0.606 local terms energy: -330.378918 where: bonds (distance) C4'-P energy: -62.274 bonds (distance) P-C4' energy: -54.466 flat angles C4'-P-C4' energy: -75.237 flat angles P-C4'-P energy: -51.990 tors. eta vs tors. theta energy: -86.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -861.085257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.085257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.085257 (E_RNA) where: Base-Base interactions energy: -550.074 where: short stacking energy: -268.069 Base-Backbone interact. energy: 0.756 local terms energy: -311.767045 where: bonds (distance) C4'-P energy: -70.811 bonds (distance) P-C4' energy: -59.835 flat angles C4'-P-C4' energy: -65.735 flat angles P-C4'-P energy: -43.346 tors. eta vs tors. theta energy: -72.040 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: 7, replica: 2 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -646.678253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.678253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.678253 (E_RNA) where: Base-Base interactions energy: -388.717 where: short stacking energy: -211.562 Base-Backbone interact. energy: 0.494 local terms energy: -258.455327 where: bonds (distance) C4'-P energy: -61.489 bonds (distance) P-C4' energy: -57.025 flat angles C4'-P-C4' energy: -53.357 flat angles P-C4'-P energy: -42.424 tors. eta vs tors. theta energy: -44.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -618.778677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.778677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.778677 (E_RNA) where: Base-Base interactions energy: -380.304 where: short stacking energy: -205.531 Base-Backbone interact. energy: -0.874 local terms energy: -237.600374 where: bonds (distance) C4'-P energy: -31.482 bonds (distance) P-C4' energy: -59.271 flat angles C4'-P-C4' energy: -69.043 flat angles P-C4'-P energy: -43.062 tors. eta vs tors. theta energy: -34.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -367.387574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.387574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.387574 (E_RNA) where: Base-Base interactions energy: -151.063 where: short stacking energy: -108.855 Base-Backbone interact. energy: 4.815 local terms energy: -221.139922 where: bonds (distance) C4'-P energy: -67.823 bonds (distance) P-C4' energy: -60.968 flat angles C4'-P-C4' energy: -55.499 flat angles P-C4'-P energy: -29.657 tors. eta vs tors. theta energy: -7.194 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: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -306.023169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.023169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.023169 (E_RNA) where: Base-Base interactions energy: -91.535 where: short stacking energy: -84.764 Base-Backbone interact. energy: 1.648 local terms energy: -216.136286 where: bonds (distance) C4'-P energy: -48.645 bonds (distance) P-C4' energy: -69.706 flat angles C4'-P-C4' energy: -52.997 flat angles P-C4'-P energy: -31.589 tors. eta vs tors. theta energy: -13.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1173.829621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.829621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.829621 (E_RNA) where: Base-Base interactions energy: -794.802 where: short stacking energy: -373.483 Base-Backbone interact. energy: -2.326 local terms energy: -376.701399 where: bonds (distance) C4'-P energy: -73.185 bonds (distance) P-C4' energy: -68.969 flat angles C4'-P-C4' energy: -74.950 flat angles P-C4'-P energy: -51.058 tors. eta vs tors. theta energy: -108.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1146.834786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.834786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.834786 (E_RNA) where: Base-Base interactions energy: -766.459 where: short stacking energy: -363.555 Base-Backbone interact. energy: -3.221 local terms energy: -377.154587 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -77.515 flat angles C4'-P-C4' energy: -77.111 flat angles P-C4'-P energy: -53.608 tors. eta vs tors. theta energy: -109.541 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: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1069.542635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.542635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.542635 (E_RNA) where: Base-Base interactions energy: -716.158 where: short stacking energy: -334.337 Base-Backbone interact. energy: -0.740 local terms energy: -352.644160 where: bonds (distance) C4'-P energy: -62.685 bonds (distance) P-C4' energy: -71.311 flat angles C4'-P-C4' energy: -77.133 flat angles P-C4'-P energy: -49.544 tors. eta vs tors. theta energy: -91.971 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: 4 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -982.825418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.825418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.825418 (E_RNA) where: Base-Base interactions energy: -667.073 where: short stacking energy: -321.672 Base-Backbone interact. energy: -0.892 local terms energy: -314.859952 where: bonds (distance) C4'-P energy: -65.883 bonds (distance) P-C4' energy: -59.773 flat angles C4'-P-C4' energy: -58.804 flat angles P-C4'-P energy: -47.696 tors. eta vs tors. theta energy: -82.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -973.642985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.642985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.642985 (E_RNA) where: Base-Base interactions energy: -646.310 where: short stacking energy: -286.918 Base-Backbone interact. energy: -1.859 local terms energy: -325.474575 where: bonds (distance) C4'-P energy: -55.721 bonds (distance) P-C4' energy: -62.427 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -46.981 tors. eta vs tors. theta energy: -86.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -843.044134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.044134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.044134 (E_RNA) where: Base-Base interactions energy: -548.377 where: short stacking energy: -252.495 Base-Backbone interact. energy: -1.277 local terms energy: -293.390054 where: bonds (distance) C4'-P energy: -60.856 bonds (distance) P-C4' energy: -72.614 flat angles C4'-P-C4' energy: -57.179 flat angles P-C4'-P energy: -36.012 tors. eta vs tors. theta energy: -66.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -603.418071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.418071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.418071 (E_RNA) where: Base-Base interactions energy: -354.323 where: short stacking energy: -187.646 Base-Backbone interact. energy: -0.676 local terms energy: -248.419222 where: bonds (distance) C4'-P energy: -48.096 bonds (distance) P-C4' energy: -58.293 flat angles C4'-P-C4' energy: -67.787 flat angles P-C4'-P energy: -36.463 tors. eta vs tors. theta energy: -37.781 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: 8, replica: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -606.266531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.266531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.266531 (E_RNA) where: Base-Base interactions energy: -359.236 where: short stacking energy: -175.690 Base-Backbone interact. energy: -0.836 local terms energy: -246.194608 where: bonds (distance) C4'-P energy: -52.269 bonds (distance) P-C4' energy: -73.859 flat angles C4'-P-C4' energy: -47.482 flat angles P-C4'-P energy: -36.378 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: 9, replica: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -363.352192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.352192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.352192 (E_RNA) where: Base-Base interactions energy: -145.643 where: short stacking energy: -98.831 Base-Backbone interact. energy: -0.435 local terms energy: -217.274031 where: bonds (distance) C4'-P energy: -54.546 bonds (distance) P-C4' energy: -63.841 flat angles C4'-P-C4' energy: -54.685 flat angles P-C4'-P energy: -34.776 tors. eta vs tors. theta energy: -9.427 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: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -274.194313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.194313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.194313 (E_RNA) where: Base-Base interactions energy: -85.518 where: short stacking energy: -70.881 Base-Backbone interact. energy: 2.330 local terms energy: -191.006825 where: bonds (distance) C4'-P energy: -51.748 bonds (distance) P-C4' energy: -71.069 flat angles C4'-P-C4' energy: -48.502 flat angles P-C4'-P energy: -29.161 tors. eta vs tors. theta energy: 9.473 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: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1189.618510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.618510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.618510 (E_RNA) where: Base-Base interactions energy: -814.159 where: short stacking energy: -381.499 Base-Backbone interact. energy: -2.520 local terms energy: -372.939436 where: bonds (distance) C4'-P energy: -57.960 bonds (distance) P-C4' energy: -76.945 flat angles C4'-P-C4' energy: -75.445 flat angles P-C4'-P energy: -51.152 tors. eta vs tors. theta energy: -111.437 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: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1140.382896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.382896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.382896 (E_RNA) where: Base-Base interactions energy: -789.176 where: short stacking energy: -362.398 Base-Backbone interact. energy: -0.715 local terms energy: -350.492659 where: bonds (distance) C4'-P energy: -59.081 bonds (distance) P-C4' energy: -72.618 flat angles C4'-P-C4' energy: -71.759 flat angles P-C4'-P energy: -42.159 tors. eta vs tors. theta energy: -104.876 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: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1063.794668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.794668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.794668 (E_RNA) where: Base-Base interactions energy: -698.768 where: short stacking energy: -340.767 Base-Backbone interact. energy: 2.318 local terms energy: -367.344568 where: bonds (distance) C4'-P energy: -58.966 bonds (distance) P-C4' energy: -79.052 flat angles C4'-P-C4' energy: -77.967 flat angles P-C4'-P energy: -53.905 tors. eta vs tors. theta energy: -97.455 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: 432 Temperature: 1.050000 Total energy: -938.365030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.365030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.365030 (E_RNA) where: Base-Base interactions energy: -619.449 where: short stacking energy: -290.672 Base-Backbone interact. energy: 1.854 local terms energy: -320.770943 where: bonds (distance) C4'-P energy: -61.409 bonds (distance) P-C4' energy: -62.482 flat angles C4'-P-C4' energy: -78.469 flat angles P-C4'-P energy: -44.504 tors. eta vs tors. theta energy: -73.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -964.710730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.710730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.710730 (E_RNA) where: Base-Base interactions energy: -639.422 where: short stacking energy: -307.654 Base-Backbone interact. energy: -2.105 local terms energy: -323.183845 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -56.232 flat angles C4'-P-C4' energy: -68.481 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -84.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -846.034593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.034593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.034593 (E_RNA) where: Base-Base interactions energy: -564.305 where: short stacking energy: -251.614 Base-Backbone interact. energy: 0.071 local terms energy: -281.800294 where: bonds (distance) C4'-P energy: -63.238 bonds (distance) P-C4' energy: -60.299 flat angles C4'-P-C4' energy: -69.175 flat angles P-C4'-P energy: -36.645 tors. eta vs tors. theta energy: -52.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -649.452111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.452111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.452111 (E_RNA) where: Base-Base interactions energy: -363.051 where: short stacking energy: -185.279 Base-Backbone interact. energy: -2.202 local terms energy: -284.199508 where: bonds (distance) C4'-P energy: -60.320 bonds (distance) P-C4' energy: -73.946 flat angles C4'-P-C4' energy: -63.833 flat angles P-C4'-P energy: -49.130 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: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -625.444618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.444618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.444618 (E_RNA) where: Base-Base interactions energy: -388.399 where: short stacking energy: -191.849 Base-Backbone interact. energy: 0.499 local terms energy: -237.544166 where: bonds (distance) C4'-P energy: -39.053 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -55.853 flat angles P-C4'-P energy: -47.265 tors. eta vs tors. theta energy: -30.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -349.618533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.618533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.618533 (E_RNA) where: Base-Base interactions energy: -152.278 where: short stacking energy: -108.885 Base-Backbone interact. energy: -1.289 local terms energy: -196.051761 where: bonds (distance) C4'-P energy: -53.198 bonds (distance) P-C4' energy: -67.788 flat angles C4'-P-C4' energy: -47.458 flat angles P-C4'-P energy: -26.491 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -277.917363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.917363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.917363 (E_RNA) where: Base-Base interactions energy: -97.234 where: short stacking energy: -79.479 Base-Backbone interact. energy: -2.148 local terms energy: -178.535525 where: bonds (distance) C4'-P energy: -51.478 bonds (distance) P-C4' energy: -60.971 flat angles C4'-P-C4' energy: -38.257 flat angles P-C4'-P energy: -37.012 tors. eta vs tors. theta energy: 9.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1187.658981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.658981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.658981 (E_RNA) where: Base-Base interactions energy: -796.720 where: short stacking energy: -371.387 Base-Backbone interact. energy: -1.935 local terms energy: -389.004559 where: bonds (distance) C4'-P energy: -71.431 bonds (distance) P-C4' energy: -74.854 flat angles C4'-P-C4' energy: -76.536 flat angles P-C4'-P energy: -57.109 tors. eta vs tors. theta energy: -109.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1139.998489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.998489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.998489 (E_RNA) where: Base-Base interactions energy: -772.727 where: short stacking energy: -351.358 Base-Backbone interact. energy: -0.135 local terms energy: -367.136447 where: bonds (distance) C4'-P energy: -68.701 bonds (distance) P-C4' energy: -60.650 flat angles C4'-P-C4' energy: -77.512 flat angles P-C4'-P energy: -59.156 tors. eta vs tors. theta energy: -101.117 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: 3, replica: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1047.866170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.866170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.866170 (E_RNA) where: Base-Base interactions energy: -691.446 where: short stacking energy: -333.689 Base-Backbone interact. energy: -0.713 local terms energy: -355.707119 where: bonds (distance) C4'-P energy: -73.338 bonds (distance) P-C4' energy: -69.687 flat angles C4'-P-C4' energy: -72.014 flat angles P-C4'-P energy: -45.500 tors. eta vs tors. theta energy: -95.169 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: 433 Temperature: 1.050000 Total energy: -1008.560153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.560153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.560153 (E_RNA) where: Base-Base interactions energy: -668.917 where: short stacking energy: -315.996 Base-Backbone interact. energy: -0.399 local terms energy: -339.244170 where: bonds (distance) C4'-P energy: -68.682 bonds (distance) P-C4' energy: -62.023 flat angles C4'-P-C4' energy: -78.156 flat angles P-C4'-P energy: -43.532 tors. eta vs tors. theta energy: -86.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -954.263434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.263434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.263434 (E_RNA) where: Base-Base interactions energy: -635.780 where: short stacking energy: -287.487 Base-Backbone interact. energy: -1.377 local terms energy: -317.106591 where: bonds (distance) C4'-P energy: -71.199 bonds (distance) P-C4' energy: -62.813 flat angles C4'-P-C4' energy: -66.760 flat angles P-C4'-P energy: -42.469 tors. eta vs tors. theta energy: -73.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -807.591228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.591228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.591228 (E_RNA) where: Base-Base interactions energy: -530.353 where: short stacking energy: -252.920 Base-Backbone interact. energy: -1.034 local terms energy: -276.204532 where: bonds (distance) C4'-P energy: -53.423 bonds (distance) P-C4' energy: -53.862 flat angles C4'-P-C4' energy: -65.120 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -55.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -678.704185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.704185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.704185 (E_RNA) where: Base-Base interactions energy: -405.523 where: short stacking energy: -234.434 Base-Backbone interact. energy: 0.772 local terms energy: -273.953585 where: bonds (distance) C4'-P energy: -57.534 bonds (distance) P-C4' energy: -50.993 flat angles C4'-P-C4' energy: -73.840 flat angles P-C4'-P energy: -30.002 tors. eta vs tors. theta energy: -61.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -588.461729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.461729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.461729 (E_RNA) where: Base-Base interactions energy: -360.196 where: short stacking energy: -180.896 Base-Backbone interact. energy: -0.265 local terms energy: -228.000996 where: bonds (distance) C4'-P energy: -45.345 bonds (distance) P-C4' energy: -65.770 flat angles C4'-P-C4' energy: -58.250 flat angles P-C4'-P energy: -28.131 tors. eta vs tors. theta energy: -30.504 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: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -366.283483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.283483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.283483 (E_RNA) where: Base-Base interactions energy: -154.311 where: short stacking energy: -103.553 Base-Backbone interact. energy: -2.190 local terms energy: -209.783388 where: bonds (distance) C4'-P energy: -50.304 bonds (distance) P-C4' energy: -58.912 flat angles C4'-P-C4' energy: -56.088 flat angles P-C4'-P energy: -36.394 tors. eta vs tors. theta energy: -8.086 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: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -265.421355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.421355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.421355 (E_RNA) where: Base-Base interactions energy: -92.543 where: short stacking energy: -88.364 Base-Backbone interact. energy: 4.225 local terms energy: -177.102936 where: bonds (distance) C4'-P energy: -48.262 bonds (distance) P-C4' energy: -55.213 flat angles C4'-P-C4' energy: -47.294 flat angles P-C4'-P energy: -30.703 tors. eta vs tors. theta energy: 4.370 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: 1, replica: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1188.807625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.807625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.807625 (E_RNA) where: Base-Base interactions energy: -805.834 where: short stacking energy: -376.509 Base-Backbone interact. energy: -1.513 local terms energy: -381.460674 where: bonds (distance) C4'-P energy: -70.860 bonds (distance) P-C4' energy: -69.741 flat angles C4'-P-C4' energy: -74.938 flat angles P-C4'-P energy: -54.378 tors. eta vs tors. theta energy: -111.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1148.805775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.805775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.805775 (E_RNA) where: Base-Base interactions energy: -780.282 where: short stacking energy: -360.901 Base-Backbone interact. energy: -1.091 local terms energy: -367.432900 where: bonds (distance) C4'-P energy: -73.788 bonds (distance) P-C4' energy: -67.953 flat angles C4'-P-C4' energy: -82.053 flat angles P-C4'-P energy: -45.599 tors. eta vs tors. theta energy: -98.040 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: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1042.342840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.342840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.342840 (E_RNA) where: Base-Base interactions energy: -689.077 where: short stacking energy: -330.183 Base-Backbone interact. energy: -0.334 local terms energy: -352.931790 where: bonds (distance) C4'-P energy: -67.563 bonds (distance) P-C4' energy: -64.896 flat angles C4'-P-C4' energy: -83.438 flat angles P-C4'-P energy: -43.137 tors. eta vs tors. theta energy: -93.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1013.235305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.235305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.235305 (E_RNA) where: Base-Base interactions energy: -653.165 where: short stacking energy: -316.985 Base-Backbone interact. energy: 0.165 local terms energy: -360.234658 where: bonds (distance) C4'-P energy: -65.705 bonds (distance) P-C4' energy: -70.974 flat angles C4'-P-C4' energy: -74.338 flat angles P-C4'-P energy: -48.912 tors. eta vs tors. theta energy: -100.306 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: 5, replica: 3 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -916.676235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.676235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.676235 (E_RNA) where: Base-Base interactions energy: -578.992 where: short stacking energy: -257.882 Base-Backbone interact. energy: -1.611 local terms energy: -336.073282 where: bonds (distance) C4'-P energy: -65.307 bonds (distance) P-C4' energy: -67.670 flat angles C4'-P-C4' energy: -77.137 flat angles P-C4'-P energy: -49.218 tors. eta vs tors. theta energy: -76.742 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: 5 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -865.576658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.576658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.576658 (E_RNA) where: Base-Base interactions energy: -579.673 where: short stacking energy: -269.174 Base-Backbone interact. energy: 0.275 local terms energy: -286.178382 where: bonds (distance) C4'-P energy: -42.356 bonds (distance) P-C4' energy: -70.780 flat angles C4'-P-C4' energy: -70.156 flat angles P-C4'-P energy: -41.349 tors. eta vs tors. theta energy: -61.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -681.706330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.706330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.706330 (E_RNA) where: Base-Base interactions energy: -408.184 where: short stacking energy: -204.618 Base-Backbone interact. energy: 1.626 local terms energy: -275.148416 where: bonds (distance) C4'-P energy: -56.839 bonds (distance) P-C4' energy: -60.745 flat angles C4'-P-C4' energy: -65.590 flat angles P-C4'-P energy: -40.555 tors. eta vs tors. theta energy: -51.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -648.137459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.137459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.137459 (E_RNA) where: Base-Base interactions energy: -408.614 where: short stacking energy: -185.612 Base-Backbone interact. energy: 0.076 local terms energy: -239.598989 where: bonds (distance) C4'-P energy: -53.586 bonds (distance) P-C4' energy: -55.670 flat angles C4'-P-C4' energy: -58.209 flat angles P-C4'-P energy: -31.468 tors. eta vs tors. theta energy: -40.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -384.800275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.800275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.800275 (E_RNA) where: Base-Base interactions energy: -189.679 where: short stacking energy: -142.695 Base-Backbone interact. energy: -1.754 local terms energy: -193.367343 where: bonds (distance) C4'-P energy: -50.444 bonds (distance) P-C4' energy: -54.634 flat angles C4'-P-C4' energy: -40.693 flat angles P-C4'-P energy: -29.133 tors. eta vs tors. theta energy: -18.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -312.673221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.673221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.673221 (E_RNA) where: Base-Base interactions energy: -109.746 where: short stacking energy: -88.771 Base-Backbone interact. energy: 2.918 local terms energy: -205.844805 where: bonds (distance) C4'-P energy: -59.115 bonds (distance) P-C4' energy: -68.435 flat angles C4'-P-C4' energy: -51.000 flat angles P-C4'-P energy: -27.750 tors. eta vs tors. theta energy: 0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1187.811526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.811526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.811526 (E_RNA) where: Base-Base interactions energy: -799.770 where: short stacking energy: -365.048 Base-Backbone interact. energy: -1.057 local terms energy: -386.984356 where: bonds (distance) C4'-P energy: -66.259 bonds (distance) P-C4' energy: -74.192 flat angles C4'-P-C4' energy: -78.429 flat angles P-C4'-P energy: -53.270 tors. eta vs tors. theta energy: -114.834 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: 1 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1143.626351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.626351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.626351 (E_RNA) where: Base-Base interactions energy: -768.152 where: short stacking energy: -365.949 Base-Backbone interact. energy: 0.053 local terms energy: -375.526785 where: bonds (distance) C4'-P energy: -66.178 bonds (distance) P-C4' energy: -64.957 flat angles C4'-P-C4' energy: -77.088 flat angles P-C4'-P energy: -57.740 tors. eta vs tors. theta energy: -109.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1059.819725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.819725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.819725 (E_RNA) where: Base-Base interactions energy: -708.677 where: short stacking energy: -332.715 Base-Backbone interact. energy: -0.932 local terms energy: -350.211357 where: bonds (distance) C4'-P energy: -70.223 bonds (distance) P-C4' energy: -59.367 flat angles C4'-P-C4' energy: -72.807 flat angles P-C4'-P energy: -44.681 tors. eta vs tors. theta energy: -103.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -993.586853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.586853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.586853 (E_RNA) where: Base-Base interactions energy: -670.081 where: short stacking energy: -317.837 Base-Backbone interact. energy: 0.398 local terms energy: -323.904602 where: bonds (distance) C4'-P energy: -54.196 bonds (distance) P-C4' energy: -60.765 flat angles C4'-P-C4' energy: -66.968 flat angles P-C4'-P energy: -52.272 tors. eta vs tors. theta energy: -89.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -907.780230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.780230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.780230 (E_RNA) where: Base-Base interactions energy: -600.378 where: short stacking energy: -283.966 Base-Backbone interact. energy: 0.655 local terms energy: -308.057387 where: bonds (distance) C4'-P energy: -58.786 bonds (distance) P-C4' energy: -66.530 flat angles C4'-P-C4' energy: -70.561 flat angles P-C4'-P energy: -40.287 tors. eta vs tors. theta energy: -71.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -882.006686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.006686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.006686 (E_RNA) where: Base-Base interactions energy: -578.078 where: short stacking energy: -273.347 Base-Backbone interact. energy: -0.429 local terms energy: -303.499173 where: bonds (distance) C4'-P energy: -57.603 bonds (distance) P-C4' energy: -61.339 flat angles C4'-P-C4' energy: -67.943 flat angles P-C4'-P energy: -47.272 tors. eta vs tors. theta energy: -69.342 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: 435 Temperature: 1.200000 Total energy: -674.940473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.940473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.940473 (E_RNA) where: Base-Base interactions energy: -411.221 where: short stacking energy: -212.105 Base-Backbone interact. energy: -0.532 local terms energy: -263.187942 where: bonds (distance) C4'-P energy: -57.530 bonds (distance) P-C4' energy: -64.434 flat angles C4'-P-C4' energy: -49.055 flat angles P-C4'-P energy: -34.297 tors. eta vs tors. theta energy: -57.872 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: 8, replica: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -678.551654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.551654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.551654 (E_RNA) where: Base-Base interactions energy: -428.934 where: short stacking energy: -214.207 Base-Backbone interact. energy: -1.107 local terms energy: -248.510482 where: bonds (distance) C4'-P energy: -56.089 bonds (distance) P-C4' energy: -50.877 flat angles C4'-P-C4' energy: -65.171 flat angles P-C4'-P energy: -25.848 tors. eta vs tors. theta energy: -50.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -387.465985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.465985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.465985 (E_RNA) where: Base-Base interactions energy: -200.839 where: short stacking energy: -119.623 Base-Backbone interact. energy: 4.833 local terms energy: -191.460507 where: bonds (distance) C4'-P energy: -59.849 bonds (distance) P-C4' energy: -56.866 flat angles C4'-P-C4' energy: -47.350 flat angles P-C4'-P energy: -16.879 tors. eta vs tors. theta energy: -10.517 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: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -279.561328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.561328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.561328 (E_RNA) where: Base-Base interactions energy: -96.601 where: short stacking energy: -85.475 Base-Backbone interact. energy: -1.435 local terms energy: -181.524896 where: bonds (distance) C4'-P energy: -56.193 bonds (distance) P-C4' energy: -57.073 flat angles C4'-P-C4' energy: -43.675 flat angles P-C4'-P energy: -30.170 tors. eta vs tors. theta energy: 5.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1170.844746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.844746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.844746 (E_RNA) where: Base-Base interactions energy: -789.287 where: short stacking energy: -365.846 Base-Backbone interact. energy: 0.732 local terms energy: -382.289773 where: bonds (distance) C4'-P energy: -73.852 bonds (distance) P-C4' energy: -73.478 flat angles C4'-P-C4' energy: -78.565 flat angles P-C4'-P energy: -51.089 tors. eta vs tors. theta energy: -105.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1159.802990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.802990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.802990 (E_RNA) where: Base-Base interactions energy: -784.198 where: short stacking energy: -361.642 Base-Backbone interact. energy: -1.370 local terms energy: -374.234981 where: bonds (distance) C4'-P energy: -69.952 bonds (distance) P-C4' energy: -61.272 flat angles C4'-P-C4' energy: -81.871 flat angles P-C4'-P energy: -50.211 tors. eta vs tors. theta energy: -110.929 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: 3, replica: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1089.083400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.083400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.083400 (E_RNA) where: Base-Base interactions energy: -709.870 where: short stacking energy: -344.729 Base-Backbone interact. energy: -0.480 local terms energy: -378.733876 where: bonds (distance) C4'-P energy: -71.753 bonds (distance) P-C4' energy: -77.967 flat angles C4'-P-C4' energy: -75.670 flat angles P-C4'-P energy: -51.427 tors. eta vs tors. theta energy: -101.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1003.745868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.745868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.745868 (E_RNA) where: Base-Base interactions energy: -673.035 where: short stacking energy: -324.280 Base-Backbone interact. energy: -1.201 local terms energy: -329.509924 where: bonds (distance) C4'-P energy: -62.036 bonds (distance) P-C4' energy: -59.988 flat angles C4'-P-C4' energy: -69.296 flat angles P-C4'-P energy: -50.200 tors. eta vs tors. theta energy: -87.990 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: 3 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -927.299116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.299116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.299116 (E_RNA) where: Base-Base interactions energy: -601.348 where: short stacking energy: -277.240 Base-Backbone interact. energy: 1.735 local terms energy: -327.686032 where: bonds (distance) C4'-P energy: -67.989 bonds (distance) P-C4' energy: -77.818 flat angles C4'-P-C4' energy: -70.386 flat angles P-C4'-P energy: -38.612 tors. eta vs tors. theta energy: -72.881 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: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -873.119629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.119629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.119629 (E_RNA) where: Base-Base interactions energy: -572.892 where: short stacking energy: -247.039 Base-Backbone interact. energy: -1.564 local terms energy: -298.663628 where: bonds (distance) C4'-P energy: -65.141 bonds (distance) P-C4' energy: -61.622 flat angles C4'-P-C4' energy: -60.440 flat angles P-C4'-P energy: -53.851 tors. eta vs tors. theta energy: -57.609 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: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -665.202220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.202220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.202220 (E_RNA) where: Base-Base interactions energy: -396.027 where: short stacking energy: -190.391 Base-Backbone interact. energy: -0.030 local terms energy: -269.145327 where: bonds (distance) C4'-P energy: -60.904 bonds (distance) P-C4' energy: -58.751 flat angles C4'-P-C4' energy: -63.832 flat angles P-C4'-P energy: -40.313 tors. eta vs tors. theta energy: -45.344 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: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -619.154732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.154732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.154732 (E_RNA) where: Base-Base interactions energy: -352.896 where: short stacking energy: -199.329 Base-Backbone interact. energy: 0.359 local terms energy: -266.617776 where: bonds (distance) C4'-P energy: -63.039 bonds (distance) P-C4' energy: -52.881 flat angles C4'-P-C4' energy: -60.894 flat angles P-C4'-P energy: -41.733 tors. eta vs tors. theta energy: -48.072 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: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -373.123532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.123532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.123532 (E_RNA) where: Base-Base interactions energy: -158.976 where: short stacking energy: -100.529 Base-Backbone interact. energy: -0.874 local terms energy: -213.273432 where: bonds (distance) C4'-P energy: -66.298 bonds (distance) P-C4' energy: -61.046 flat angles C4'-P-C4' energy: -51.544 flat angles P-C4'-P energy: -31.037 tors. eta vs tors. theta energy: -3.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -289.957517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.957517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.957517 (E_RNA) where: Base-Base interactions energy: -116.935 where: short stacking energy: -84.236 Base-Backbone interact. energy: 1.234 local terms energy: -174.256564 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -54.028 flat angles C4'-P-C4' energy: -37.290 flat angles P-C4'-P energy: -24.553 tors. eta vs tors. theta energy: 2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1167.567257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.567257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.567257 (E_RNA) where: Base-Base interactions energy: -802.681 where: short stacking energy: -362.197 Base-Backbone interact. energy: -0.365 local terms energy: -364.521957 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -72.854 flat angles C4'-P-C4' energy: -82.692 flat angles P-C4'-P energy: -44.513 tors. eta vs tors. theta energy: -103.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1178.979637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.979637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.979637 (E_RNA) where: Base-Base interactions energy: -802.493 where: short stacking energy: -383.790 Base-Backbone interact. energy: -1.637 local terms energy: -374.849403 where: bonds (distance) C4'-P energy: -68.049 bonds (distance) P-C4' energy: -60.514 flat angles C4'-P-C4' energy: -80.681 flat angles P-C4'-P energy: -53.850 tors. eta vs tors. theta energy: -111.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1032.102525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.102525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.102525 (E_RNA) where: Base-Base interactions energy: -686.912 where: short stacking energy: -316.844 Base-Backbone interact. energy: 1.418 local terms energy: -346.608348 where: bonds (distance) C4'-P energy: -73.216 bonds (distance) P-C4' energy: -66.026 flat angles C4'-P-C4' energy: -71.959 flat angles P-C4'-P energy: -52.527 tors. eta vs tors. theta energy: -82.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -999.059312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.059312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.059312 (E_RNA) where: Base-Base interactions energy: -671.074 where: short stacking energy: -314.355 Base-Backbone interact. energy: -0.582 local terms energy: -327.402684 where: bonds (distance) C4'-P energy: -53.306 bonds (distance) P-C4' energy: -62.235 flat angles C4'-P-C4' energy: -74.421 flat angles P-C4'-P energy: -53.502 tors. eta vs tors. theta energy: -83.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -887.680685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.680685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.680685 (E_RNA) where: Base-Base interactions energy: -575.574 where: short stacking energy: -269.301 Base-Backbone interact. energy: -1.309 local terms energy: -310.797374 where: bonds (distance) C4'-P energy: -69.312 bonds (distance) P-C4' energy: -70.664 flat angles C4'-P-C4' energy: -62.670 flat angles P-C4'-P energy: -40.923 tors. eta vs tors. theta energy: -67.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -924.255452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.255452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.255452 (E_RNA) where: Base-Base interactions energy: -611.930 where: short stacking energy: -293.198 Base-Backbone interact. energy: -3.712 local terms energy: -308.613897 where: bonds (distance) C4'-P energy: -44.686 bonds (distance) P-C4' energy: -61.888 flat angles C4'-P-C4' energy: -73.332 flat angles P-C4'-P energy: -48.041 tors. eta vs tors. theta energy: -80.667 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: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -660.526267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.526267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.526267 (E_RNA) where: Base-Base interactions energy: -391.303 where: short stacking energy: -194.778 Base-Backbone interact. energy: -2.002 local terms energy: -267.221769 where: bonds (distance) C4'-P energy: -57.385 bonds (distance) P-C4' energy: -71.215 flat angles C4'-P-C4' energy: -60.506 flat angles P-C4'-P energy: -34.154 tors. eta vs tors. theta energy: -43.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -603.709958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.709958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.709958 (E_RNA) where: Base-Base interactions energy: -354.118 where: short stacking energy: -185.170 Base-Backbone interact. energy: -0.509 local terms energy: -249.083107 where: bonds (distance) C4'-P energy: -65.286 bonds (distance) P-C4' energy: -59.867 flat angles C4'-P-C4' energy: -53.004 flat angles P-C4'-P energy: -38.501 tors. eta vs tors. theta energy: -32.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -366.423774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.423774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.423774 (E_RNA) where: Base-Base interactions energy: -157.921 where: short stacking energy: -110.032 Base-Backbone interact. energy: -0.764 local terms energy: -207.738290 where: bonds (distance) C4'-P energy: -58.349 bonds (distance) P-C4' energy: -67.734 flat angles C4'-P-C4' energy: -49.677 flat angles P-C4'-P energy: -28.263 tors. eta vs tors. theta energy: -3.716 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: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -295.102585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.102585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.102585 (E_RNA) where: Base-Base interactions energy: -92.630 where: short stacking energy: -85.324 Base-Backbone interact. energy: -0.562 local terms energy: -201.911313 where: bonds (distance) C4'-P energy: -52.811 bonds (distance) P-C4' energy: -59.833 flat angles C4'-P-C4' energy: -47.359 flat angles P-C4'-P energy: -41.598 tors. eta vs tors. theta energy: -0.310 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: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1181.673923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.673923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.673923 (E_RNA) where: Base-Base interactions energy: -802.951 where: short stacking energy: -370.226 Base-Backbone interact. energy: -1.187 local terms energy: -377.536148 where: bonds (distance) C4'-P energy: -70.198 bonds (distance) P-C4' energy: -67.661 flat angles C4'-P-C4' energy: -79.167 flat angles P-C4'-P energy: -50.826 tors. eta vs tors. theta energy: -109.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1157.913153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.913153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.913153 (E_RNA) where: Base-Base interactions energy: -779.585 where: short stacking energy: -360.461 Base-Backbone interact. energy: -0.538 local terms energy: -377.790692 where: bonds (distance) C4'-P energy: -69.741 bonds (distance) P-C4' energy: -72.615 flat angles C4'-P-C4' energy: -76.365 flat angles P-C4'-P energy: -50.878 tors. eta vs tors. theta energy: -108.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1046.768569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.768569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.768569 (E_RNA) where: Base-Base interactions energy: -703.404 where: short stacking energy: -329.287 Base-Backbone interact. energy: 3.386 local terms energy: -346.750423 where: bonds (distance) C4'-P energy: -68.365 bonds (distance) P-C4' energy: -62.430 flat angles C4'-P-C4' energy: -79.407 flat angles P-C4'-P energy: -44.629 tors. eta vs tors. theta energy: -91.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -988.888380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.888380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.888380 (E_RNA) where: Base-Base interactions energy: -652.366 where: short stacking energy: -318.549 Base-Backbone interact. energy: 4.613 local terms energy: -341.135391 where: bonds (distance) C4'-P energy: -70.932 bonds (distance) P-C4' energy: -64.695 flat angles C4'-P-C4' energy: -76.980 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -82.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -876.034446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.034446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.034446 (E_RNA) where: Base-Base interactions energy: -569.460 where: short stacking energy: -265.607 Base-Backbone interact. energy: -1.328 local terms energy: -305.246509 where: bonds (distance) C4'-P energy: -68.766 bonds (distance) P-C4' energy: -70.707 flat angles C4'-P-C4' energy: -61.024 flat angles P-C4'-P energy: -41.330 tors. eta vs tors. theta energy: -63.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -943.875886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.875886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.875886 (E_RNA) where: Base-Base interactions energy: -644.070 where: short stacking energy: -285.085 Base-Backbone interact. energy: -1.321 local terms energy: -298.484327 where: bonds (distance) C4'-P energy: -59.322 bonds (distance) P-C4' energy: -53.526 flat angles C4'-P-C4' energy: -66.567 flat angles P-C4'-P energy: -36.335 tors. eta vs tors. theta energy: -82.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -669.300548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.300548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.300548 (E_RNA) where: Base-Base interactions energy: -408.556 where: short stacking energy: -193.817 Base-Backbone interact. energy: -0.793 local terms energy: -259.951194 where: bonds (distance) C4'-P energy: -60.130 bonds (distance) P-C4' energy: -63.835 flat angles C4'-P-C4' energy: -56.248 flat angles P-C4'-P energy: -39.986 tors. eta vs tors. theta energy: -39.752 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: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -621.153818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.153818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.153818 (E_RNA) where: Base-Base interactions energy: -367.402 where: short stacking energy: -209.905 Base-Backbone interact. energy: 0.983 local terms energy: -254.734288 where: bonds (distance) C4'-P energy: -51.796 bonds (distance) P-C4' energy: -62.765 flat angles C4'-P-C4' energy: -69.494 flat angles P-C4'-P energy: -19.991 tors. eta vs tors. theta energy: -50.688 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: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -363.610955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.610955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.610955 (E_RNA) where: Base-Base interactions energy: -163.221 where: short stacking energy: -107.180 Base-Backbone interact. energy: -0.909 local terms energy: -199.481251 where: bonds (distance) C4'-P energy: -56.673 bonds (distance) P-C4' energy: -60.401 flat angles C4'-P-C4' energy: -35.528 flat angles P-C4'-P energy: -41.528 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -304.734886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.734886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.734886 (E_RNA) where: Base-Base interactions energy: -122.304 where: short stacking energy: -82.514 Base-Backbone interact. energy: 1.764 local terms energy: -184.195013 where: bonds (distance) C4'-P energy: -53.973 bonds (distance) P-C4' energy: -60.614 flat angles C4'-P-C4' energy: -56.948 flat angles P-C4'-P energy: -22.669 tors. eta vs tors. theta energy: 10.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1196.414385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.414385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.414385 (E_RNA) where: Base-Base interactions energy: -800.087 where: short stacking energy: -370.929 Base-Backbone interact. energy: 0.244 local terms energy: -396.571549 where: bonds (distance) C4'-P energy: -66.681 bonds (distance) P-C4' energy: -74.974 flat angles C4'-P-C4' energy: -82.076 flat angles P-C4'-P energy: -58.643 tors. eta vs tors. theta energy: -114.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1129.238784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.238784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.238784 (E_RNA) where: Base-Base interactions energy: -758.575 where: short stacking energy: -348.044 Base-Backbone interact. energy: -0.018 local terms energy: -370.645598 where: bonds (distance) C4'-P energy: -75.813 bonds (distance) P-C4' energy: -62.125 flat angles C4'-P-C4' energy: -87.810 flat angles P-C4'-P energy: -44.073 tors. eta vs tors. theta energy: -100.824 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: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1069.246018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.246018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.246018 (E_RNA) where: Base-Base interactions energy: -712.596 where: short stacking energy: -340.035 Base-Backbone interact. energy: -0.897 local terms energy: -355.753617 where: bonds (distance) C4'-P energy: -62.219 bonds (distance) P-C4' energy: -63.832 flat angles C4'-P-C4' energy: -73.469 flat angles P-C4'-P energy: -55.271 tors. eta vs tors. theta energy: -100.962 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: 9 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -987.069515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.069515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.069515 (E_RNA) where: Base-Base interactions energy: -647.054 where: short stacking energy: -306.579 Base-Backbone interact. energy: -0.409 local terms energy: -339.606061 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -66.351 flat angles C4'-P-C4' energy: -76.778 flat angles P-C4'-P energy: -43.354 tors. eta vs tors. theta energy: -85.925 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: 5, replica: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -897.913459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.913459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.913459 (E_RNA) where: Base-Base interactions energy: -584.098 where: short stacking energy: -279.797 Base-Backbone interact. energy: -0.544 local terms energy: -313.270853 where: bonds (distance) C4'-P energy: -61.846 bonds (distance) P-C4' energy: -60.655 flat angles C4'-P-C4' energy: -71.638 flat angles P-C4'-P energy: -49.813 tors. eta vs tors. theta energy: -69.320 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: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -923.415951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.415951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.415951 (E_RNA) where: Base-Base interactions energy: -636.494 where: short stacking energy: -288.219 Base-Backbone interact. energy: 0.241 local terms energy: -287.163040 where: bonds (distance) C4'-P energy: -47.741 bonds (distance) P-C4' energy: -62.888 flat angles C4'-P-C4' energy: -64.234 flat angles P-C4'-P energy: -42.266 tors. eta vs tors. theta energy: -70.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -653.343171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.343171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.343171 (E_RNA) where: Base-Base interactions energy: -402.524 where: short stacking energy: -205.034 Base-Backbone interact. energy: -0.077 local terms energy: -250.742100 where: bonds (distance) C4'-P energy: -48.716 bonds (distance) P-C4' energy: -64.267 flat angles C4'-P-C4' energy: -61.788 flat angles P-C4'-P energy: -41.418 tors. eta vs tors. theta energy: -34.552 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: 8, replica: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -614.828524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.828524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.828524 (E_RNA) where: Base-Base interactions energy: -381.764 where: short stacking energy: -213.561 Base-Backbone interact. energy: -0.655 local terms energy: -232.409730 where: bonds (distance) C4'-P energy: -56.007 bonds (distance) P-C4' energy: -60.137 flat angles C4'-P-C4' energy: -50.073 flat angles P-C4'-P energy: -30.524 tors. eta vs tors. theta energy: -35.668 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: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -353.915232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.915232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.915232 (E_RNA) where: Base-Base interactions energy: -149.322 where: short stacking energy: -87.040 Base-Backbone interact. energy: -1.348 local terms energy: -203.245234 where: bonds (distance) C4'-P energy: -57.337 bonds (distance) P-C4' energy: -66.492 flat angles C4'-P-C4' energy: -51.577 flat angles P-C4'-P energy: -31.568 tors. eta vs tors. theta energy: 3.728 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: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -306.623555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.623555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.623555 (E_RNA) where: Base-Base interactions energy: -115.753 where: short stacking energy: -93.156 Base-Backbone interact. energy: -0.559 local terms energy: -190.311058 where: bonds (distance) C4'-P energy: -51.296 bonds (distance) P-C4' energy: -63.067 flat angles C4'-P-C4' energy: -56.661 flat angles P-C4'-P energy: -30.097 tors. eta vs tors. theta energy: 10.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1192.335773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.335773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.335773 (E_RNA) where: Base-Base interactions energy: -814.913 where: short stacking energy: -380.169 Base-Backbone interact. energy: -1.686 local terms energy: -375.736453 where: bonds (distance) C4'-P energy: -53.654 bonds (distance) P-C4' energy: -72.253 flat angles C4'-P-C4' energy: -82.057 flat angles P-C4'-P energy: -54.686 tors. eta vs tors. theta energy: -113.087 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: 2, replica: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1136.675955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.675955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.675955 (E_RNA) where: Base-Base interactions energy: -768.012 where: short stacking energy: -363.356 Base-Backbone interact. energy: -1.572 local terms energy: -367.091915 where: bonds (distance) C4'-P energy: -70.814 bonds (distance) P-C4' energy: -67.057 flat angles C4'-P-C4' energy: -76.379 flat angles P-C4'-P energy: -49.857 tors. eta vs tors. theta energy: -102.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1077.477565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.477565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.477565 (E_RNA) where: Base-Base interactions energy: -716.077 where: short stacking energy: -341.081 Base-Backbone interact. energy: 1.020 local terms energy: -362.420312 where: bonds (distance) C4'-P energy: -68.729 bonds (distance) P-C4' energy: -59.694 flat angles C4'-P-C4' energy: -81.698 flat angles P-C4'-P energy: -56.450 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: 4, replica: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1011.760617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.760617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.760617 (E_RNA) where: Base-Base interactions energy: -672.390 where: short stacking energy: -324.344 Base-Backbone interact. energy: 3.482 local terms energy: -342.852381 where: bonds (distance) C4'-P energy: -61.952 bonds (distance) P-C4' energy: -65.348 flat angles C4'-P-C4' energy: -66.722 flat angles P-C4'-P energy: -55.361 tors. eta vs tors. theta energy: -93.470 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: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1006.033558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.033558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.033558 (E_RNA) where: Base-Base interactions energy: -698.199 where: short stacking energy: -321.408 Base-Backbone interact. energy: -0.826 local terms energy: -307.008419 where: bonds (distance) C4'-P energy: -53.122 bonds (distance) P-C4' energy: -62.013 flat angles C4'-P-C4' energy: -69.452 flat angles P-C4'-P energy: -37.177 tors. eta vs tors. theta energy: -85.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -879.488205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.488205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.488205 (E_RNA) where: Base-Base interactions energy: -577.235 where: short stacking energy: -265.977 Base-Backbone interact. energy: -1.475 local terms energy: -300.778198 where: bonds (distance) C4'-P energy: -64.044 bonds (distance) P-C4' energy: -67.881 flat angles C4'-P-C4' energy: -67.871 flat angles P-C4'-P energy: -36.889 tors. eta vs tors. theta energy: -64.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -634.166955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.166955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.166955 (E_RNA) where: Base-Base interactions energy: -381.644 where: short stacking energy: -215.082 Base-Backbone interact. energy: 1.157 local terms energy: -253.679371 where: bonds (distance) C4'-P energy: -53.049 bonds (distance) P-C4' energy: -55.770 flat angles C4'-P-C4' energy: -58.142 flat angles P-C4'-P energy: -43.784 tors. eta vs tors. theta energy: -42.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -644.046654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.046654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.046654 (E_RNA) where: Base-Base interactions energy: -395.639 where: short stacking energy: -205.369 Base-Backbone interact. energy: 1.613 local terms energy: -250.020768 where: bonds (distance) C4'-P energy: -53.352 bonds (distance) P-C4' energy: -71.553 flat angles C4'-P-C4' energy: -46.603 flat angles P-C4'-P energy: -37.698 tors. eta vs tors. theta energy: -40.815 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: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -367.353969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.353969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.353969 (E_RNA) where: Base-Base interactions energy: -161.460 where: short stacking energy: -119.354 Base-Backbone interact. energy: 2.294 local terms energy: -208.187474 where: bonds (distance) C4'-P energy: -64.485 bonds (distance) P-C4' energy: -68.588 flat angles C4'-P-C4' energy: -53.161 flat angles P-C4'-P energy: -14.124 tors. eta vs tors. theta energy: -7.829 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: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -286.445760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.445760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.445760 (E_RNA) where: Base-Base interactions energy: -116.945 where: short stacking energy: -93.525 Base-Backbone interact. energy: -0.456 local terms energy: -169.044576 where: bonds (distance) C4'-P energy: -40.529 bonds (distance) P-C4' energy: -51.008 flat angles C4'-P-C4' energy: -56.932 flat angles P-C4'-P energy: -24.574 tors. eta vs tors. theta energy: 3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1191.814775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.814775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.814775 (E_RNA) where: Base-Base interactions energy: -817.984 where: short stacking energy: -371.078 Base-Backbone interact. energy: -0.934 local terms energy: -372.897147 where: bonds (distance) C4'-P energy: -65.805 bonds (distance) P-C4' energy: -59.663 flat angles C4'-P-C4' energy: -85.763 flat angles P-C4'-P energy: -53.197 tors. eta vs tors. theta energy: -108.470 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: 441 Temperature: 0.950000 Total energy: -1166.105511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.105511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.105511 (E_RNA) where: Base-Base interactions energy: -781.620 where: short stacking energy: -369.783 Base-Backbone interact. energy: 0.606 local terms energy: -385.092349 where: bonds (distance) C4'-P energy: -72.698 bonds (distance) P-C4' energy: -67.397 flat angles C4'-P-C4' energy: -78.756 flat angles P-C4'-P energy: -57.795 tors. eta vs tors. theta energy: -108.446 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: 4 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1089.113210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.113210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.113210 (E_RNA) where: Base-Base interactions energy: -732.889 where: short stacking energy: -345.177 Base-Backbone interact. energy: -1.543 local terms energy: -354.681730 where: bonds (distance) C4'-P energy: -59.484 bonds (distance) P-C4' energy: -66.531 flat angles C4'-P-C4' energy: -85.409 flat angles P-C4'-P energy: -49.208 tors. eta vs tors. theta energy: -94.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1027.293028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.293028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.293028 (E_RNA) where: Base-Base interactions energy: -691.391 where: short stacking energy: -304.939 Base-Backbone interact. energy: 0.864 local terms energy: -336.765403 where: bonds (distance) C4'-P energy: -65.262 bonds (distance) P-C4' energy: -64.053 flat angles C4'-P-C4' energy: -67.818 flat angles P-C4'-P energy: -48.325 tors. eta vs tors. theta energy: -91.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -965.697299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.697299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.697299 (E_RNA) where: Base-Base interactions energy: -639.627 where: short stacking energy: -312.904 Base-Backbone interact. energy: 3.357 local terms energy: -329.427321 where: bonds (distance) C4'-P energy: -60.828 bonds (distance) P-C4' energy: -70.446 flat angles C4'-P-C4' energy: -64.022 flat angles P-C4'-P energy: -51.849 tors. eta vs tors. theta energy: -82.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -898.783346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.783346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.783346 (E_RNA) where: Base-Base interactions energy: -591.786 where: short stacking energy: -275.584 Base-Backbone interact. energy: 1.473 local terms energy: -308.469921 where: bonds (distance) C4'-P energy: -59.640 bonds (distance) P-C4' energy: -63.331 flat angles C4'-P-C4' energy: -69.382 flat angles P-C4'-P energy: -46.335 tors. eta vs tors. theta energy: -69.782 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: 6 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -628.017104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.017104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.017104 (E_RNA) where: Base-Base interactions energy: -337.423 where: short stacking energy: -187.946 Base-Backbone interact. energy: 1.492 local terms energy: -292.086645 where: bonds (distance) C4'-P energy: -67.136 bonds (distance) P-C4' energy: -73.328 flat angles C4'-P-C4' energy: -69.409 flat angles P-C4'-P energy: -36.297 tors. eta vs tors. theta energy: -45.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -629.377779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.377779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.377779 (E_RNA) where: Base-Base interactions energy: -394.329 where: short stacking energy: -188.933 Base-Backbone interact. energy: 0.950 local terms energy: -235.998036 where: bonds (distance) C4'-P energy: -60.135 bonds (distance) P-C4' energy: -40.743 flat angles C4'-P-C4' energy: -72.162 flat angles P-C4'-P energy: -31.868 tors. eta vs tors. theta energy: -31.090 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: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -393.340369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.340369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.340369 (E_RNA) where: Base-Base interactions energy: -169.552 where: short stacking energy: -115.105 Base-Backbone interact. energy: 0.460 local terms energy: -224.249018 where: bonds (distance) C4'-P energy: -46.198 bonds (distance) P-C4' energy: -66.193 flat angles C4'-P-C4' energy: -59.902 flat angles P-C4'-P energy: -39.907 tors. eta vs tors. theta energy: -12.048 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: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -280.374460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.374460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.374460 (E_RNA) where: Base-Base interactions energy: -91.448 where: short stacking energy: -76.193 Base-Backbone interact. energy: -0.449 local terms energy: -188.477870 where: bonds (distance) C4'-P energy: -58.476 bonds (distance) P-C4' energy: -68.374 flat angles C4'-P-C4' energy: -51.563 flat angles P-C4'-P energy: -11.057 tors. eta vs tors. theta energy: 0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1201.512114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.512114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.512114 (E_RNA) where: Base-Base interactions energy: -813.016 where: short stacking energy: -360.618 Base-Backbone interact. energy: -1.389 local terms energy: -387.107019 where: bonds (distance) C4'-P energy: -59.210 bonds (distance) P-C4' energy: -73.203 flat angles C4'-P-C4' energy: -88.460 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -110.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1143.541697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.541697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.541697 (E_RNA) where: Base-Base interactions energy: -769.692 where: short stacking energy: -369.350 Base-Backbone interact. energy: -0.481 local terms energy: -373.368645 where: bonds (distance) C4'-P energy: -59.106 bonds (distance) P-C4' energy: -68.659 flat angles C4'-P-C4' energy: -81.083 flat angles P-C4'-P energy: -54.506 tors. eta vs tors. theta energy: -110.015 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: 4 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1087.406772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.406772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.406772 (E_RNA) where: Base-Base interactions energy: -732.168 where: short stacking energy: -351.077 Base-Backbone interact. energy: -2.867 local terms energy: -352.371590 where: bonds (distance) C4'-P energy: -65.237 bonds (distance) P-C4' energy: -68.322 flat angles C4'-P-C4' energy: -75.765 flat angles P-C4'-P energy: -44.293 tors. eta vs tors. theta energy: -98.755 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: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -984.929785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.929785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.929785 (E_RNA) where: Base-Base interactions energy: -668.144 where: short stacking energy: -296.662 Base-Backbone interact. energy: -0.718 local terms energy: -316.067864 where: bonds (distance) C4'-P energy: -56.990 bonds (distance) P-C4' energy: -70.178 flat angles C4'-P-C4' energy: -67.974 flat angles P-C4'-P energy: -45.661 tors. eta vs tors. theta energy: -75.265 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: 9 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -977.871345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.871345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.871345 (E_RNA) where: Base-Base interactions energy: -651.107 where: short stacking energy: -320.714 Base-Backbone interact. energy: -0.459 local terms energy: -326.305198 where: bonds (distance) C4'-P energy: -52.267 bonds (distance) P-C4' energy: -58.763 flat angles C4'-P-C4' energy: -77.070 flat angles P-C4'-P energy: -39.879 tors. eta vs tors. theta energy: -98.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -865.998090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.998090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.998090 (E_RNA) where: Base-Base interactions energy: -570.127 where: short stacking energy: -260.692 Base-Backbone interact. energy: -1.332 local terms energy: -294.538952 where: bonds (distance) C4'-P energy: -70.069 bonds (distance) P-C4' energy: -55.771 flat angles C4'-P-C4' energy: -71.209 flat angles P-C4'-P energy: -34.790 tors. eta vs tors. theta energy: -62.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -640.127556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.127556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.127556 (E_RNA) where: Base-Base interactions energy: -367.444 where: short stacking energy: -200.943 Base-Backbone interact. energy: -0.851 local terms energy: -271.833051 where: bonds (distance) C4'-P energy: -57.990 bonds (distance) P-C4' energy: -65.890 flat angles C4'-P-C4' energy: -54.475 flat angles P-C4'-P energy: -50.338 tors. eta vs tors. theta energy: -43.141 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: 8, replica: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -679.899619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.899619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.899619 (E_RNA) where: Base-Base interactions energy: -435.731 where: short stacking energy: -211.864 Base-Backbone interact. energy: -1.151 local terms energy: -243.017568 where: bonds (distance) C4'-P energy: -53.840 bonds (distance) P-C4' energy: -55.679 flat angles C4'-P-C4' energy: -49.143 flat angles P-C4'-P energy: -37.275 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: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -348.327657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.327657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.327657 (E_RNA) where: Base-Base interactions energy: -148.207 where: short stacking energy: -91.126 Base-Backbone interact. energy: 3.150 local terms energy: -203.270814 where: bonds (distance) C4'-P energy: -70.110 bonds (distance) P-C4' energy: -55.680 flat angles C4'-P-C4' energy: -56.307 flat angles P-C4'-P energy: -27.152 tors. eta vs tors. theta energy: 5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -280.406846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.406846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.406846 (E_RNA) where: Base-Base interactions energy: -92.242 where: short stacking energy: -85.167 Base-Backbone interact. energy: -0.918 local terms energy: -187.246368 where: bonds (distance) C4'-P energy: -54.669 bonds (distance) P-C4' energy: -53.032 flat angles C4'-P-C4' energy: -52.059 flat angles P-C4'-P energy: -35.141 tors. eta vs tors. theta energy: 7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1171.487484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.487484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.487484 (E_RNA) where: Base-Base interactions energy: -790.395 where: short stacking energy: -353.889 Base-Backbone interact. energy: -0.691 local terms energy: -380.402077 where: bonds (distance) C4'-P energy: -76.280 bonds (distance) P-C4' energy: -66.994 flat angles C4'-P-C4' energy: -81.257 flat angles P-C4'-P energy: -52.662 tors. eta vs tors. theta energy: -103.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1151.863414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.863414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.863414 (E_RNA) where: Base-Base interactions energy: -790.870 where: short stacking energy: -364.881 Base-Backbone interact. energy: 1.406 local terms energy: -362.399659 where: bonds (distance) C4'-P energy: -56.871 bonds (distance) P-C4' energy: -69.982 flat angles C4'-P-C4' energy: -78.185 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -106.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1100.289589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.289589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.289589 (E_RNA) where: Base-Base interactions energy: -724.239 where: short stacking energy: -360.528 Base-Backbone interact. energy: -0.494 local terms energy: -375.557448 where: bonds (distance) C4'-P energy: -63.987 bonds (distance) P-C4' energy: -72.001 flat angles C4'-P-C4' energy: -78.812 flat angles P-C4'-P energy: -53.792 tors. eta vs tors. theta energy: -106.964 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: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -948.449340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.449340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.449340 (E_RNA) where: Base-Base interactions energy: -644.234 where: short stacking energy: -281.756 Base-Backbone interact. energy: 6.767 local terms energy: -310.982670 where: bonds (distance) C4'-P energy: -58.021 bonds (distance) P-C4' energy: -61.808 flat angles C4'-P-C4' energy: -73.150 flat angles P-C4'-P energy: -45.988 tors. eta vs tors. theta energy: -72.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -950.653627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.653627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.653627 (E_RNA) where: Base-Base interactions energy: -628.975 where: short stacking energy: -294.976 Base-Backbone interact. energy: 1.385 local terms energy: -323.064028 where: bonds (distance) C4'-P energy: -61.744 bonds (distance) P-C4' energy: -75.316 flat angles C4'-P-C4' energy: -71.803 flat angles P-C4'-P energy: -33.344 tors. eta vs tors. theta energy: -80.858 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: 3 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -876.511611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.511611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.511611 (E_RNA) where: Base-Base interactions energy: -553.054 where: short stacking energy: -245.101 Base-Backbone interact. energy: 1.212 local terms energy: -324.669741 where: bonds (distance) C4'-P energy: -60.185 bonds (distance) P-C4' energy: -69.114 flat angles C4'-P-C4' energy: -79.198 flat angles P-C4'-P energy: -51.726 tors. eta vs tors. theta energy: -64.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -609.603383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.603383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.603383 (E_RNA) where: Base-Base interactions energy: -361.677 where: short stacking energy: -191.534 Base-Backbone interact. energy: -0.263 local terms energy: -247.663185 where: bonds (distance) C4'-P energy: -55.589 bonds (distance) P-C4' energy: -57.735 flat angles C4'-P-C4' energy: -66.617 flat angles P-C4'-P energy: -26.600 tors. eta vs tors. theta energy: -41.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -744.447457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.447457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.447457 (E_RNA) where: Base-Base interactions energy: -463.091 where: short stacking energy: -221.594 Base-Backbone interact. energy: 1.551 local terms energy: -282.906954 where: bonds (distance) C4'-P energy: -63.053 bonds (distance) P-C4' energy: -55.548 flat angles C4'-P-C4' energy: -60.635 flat angles P-C4'-P energy: -50.913 tors. eta vs tors. theta energy: -52.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -369.467996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.467996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.467996 (E_RNA) where: Base-Base interactions energy: -168.637 where: short stacking energy: -112.335 Base-Backbone interact. energy: 0.729 local terms energy: -201.559476 where: bonds (distance) C4'-P energy: -56.304 bonds (distance) P-C4' energy: -57.741 flat angles C4'-P-C4' energy: -50.088 flat angles P-C4'-P energy: -44.990 tors. eta vs tors. theta energy: 7.563 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: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -305.125564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.125564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.125564 (E_RNA) where: Base-Base interactions energy: -126.013 where: short stacking energy: -97.575 Base-Backbone interact. energy: -1.194 local terms energy: -177.918829 where: bonds (distance) C4'-P energy: -57.758 bonds (distance) P-C4' energy: -56.528 flat angles C4'-P-C4' energy: -35.992 flat angles P-C4'-P energy: -25.783 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1187.870873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.870873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.870873 (E_RNA) where: Base-Base interactions energy: -798.501 where: short stacking energy: -374.572 Base-Backbone interact. energy: -1.150 local terms energy: -388.219651 where: bonds (distance) C4'-P energy: -68.371 bonds (distance) P-C4' energy: -68.342 flat angles C4'-P-C4' energy: -78.043 flat angles P-C4'-P energy: -56.347 tors. eta vs tors. theta energy: -117.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1147.275416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.275416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.275416 (E_RNA) where: Base-Base interactions energy: -780.177 where: short stacking energy: -361.373 Base-Backbone interact. energy: 1.951 local terms energy: -369.048694 where: bonds (distance) C4'-P energy: -78.040 bonds (distance) P-C4' energy: -61.904 flat angles C4'-P-C4' energy: -73.199 flat angles P-C4'-P energy: -46.896 tors. eta vs tors. theta energy: -109.009 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: 4 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1086.026442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.026442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.026442 (E_RNA) where: Base-Base interactions energy: -712.213 where: short stacking energy: -342.222 Base-Backbone interact. energy: 1.194 local terms energy: -375.007645 where: bonds (distance) C4'-P energy: -68.263 bonds (distance) P-C4' energy: -75.330 flat angles C4'-P-C4' energy: -76.793 flat angles P-C4'-P energy: -54.536 tors. eta vs tors. theta energy: -100.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -959.731565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.731565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.731565 (E_RNA) where: Base-Base interactions energy: -657.483 where: short stacking energy: -273.565 Base-Backbone interact. energy: -2.373 local terms energy: -299.875811 where: bonds (distance) C4'-P energy: -63.509 bonds (distance) P-C4' energy: -58.842 flat angles C4'-P-C4' energy: -71.550 flat angles P-C4'-P energy: -39.470 tors. eta vs tors. theta energy: -66.505 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: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -950.908982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.908982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.908982 (E_RNA) where: Base-Base interactions energy: -632.136 where: short stacking energy: -296.335 Base-Backbone interact. energy: -0.353 local terms energy: -318.419870 where: bonds (distance) C4'-P energy: -61.204 bonds (distance) P-C4' energy: -56.592 flat angles C4'-P-C4' energy: -72.615 flat angles P-C4'-P energy: -45.428 tors. eta vs tors. theta energy: -82.580 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: 3 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -865.166007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.166007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.166007 (E_RNA) where: Base-Base interactions energy: -567.305 where: short stacking energy: -291.036 Base-Backbone interact. energy: 0.193 local terms energy: -298.053923 where: bonds (distance) C4'-P energy: -44.928 bonds (distance) P-C4' energy: -66.139 flat angles C4'-P-C4' energy: -67.384 flat angles P-C4'-P energy: -41.570 tors. eta vs tors. theta energy: -78.034 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: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -739.229316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.229316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.229316 (E_RNA) where: Base-Base interactions energy: -463.164 where: short stacking energy: -215.108 Base-Backbone interact. energy: -1.158 local terms energy: -274.906956 where: bonds (distance) C4'-P energy: -57.200 bonds (distance) P-C4' energy: -56.946 flat angles C4'-P-C4' energy: -67.931 flat angles P-C4'-P energy: -44.177 tors. eta vs tors. theta energy: -48.653 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: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -617.038085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.038085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.038085 (E_RNA) where: Base-Base interactions energy: -364.364 where: short stacking energy: -201.306 Base-Backbone interact. energy: 0.494 local terms energy: -253.167216 where: bonds (distance) C4'-P energy: -62.192 bonds (distance) P-C4' energy: -61.531 flat angles C4'-P-C4' energy: -56.687 flat angles P-C4'-P energy: -26.645 tors. eta vs tors. theta energy: -46.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -360.858100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.858100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.858100 (E_RNA) where: Base-Base interactions energy: -178.246 where: short stacking energy: -107.514 Base-Backbone interact. energy: 1.326 local terms energy: -183.938045 where: bonds (distance) C4'-P energy: -58.644 bonds (distance) P-C4' energy: -49.898 flat angles C4'-P-C4' energy: -50.999 flat angles P-C4'-P energy: -25.140 tors. eta vs tors. theta energy: 0.743 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: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -295.021685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.021685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.021685 (E_RNA) where: Base-Base interactions energy: -128.573 where: short stacking energy: -93.950 Base-Backbone interact. energy: -1.106 local terms energy: -165.343160 where: bonds (distance) C4'-P energy: -55.084 bonds (distance) P-C4' energy: -65.614 flat angles C4'-P-C4' energy: -31.004 flat angles P-C4'-P energy: -23.961 tors. eta vs tors. theta energy: 10.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1181.820195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.820195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.820195 (E_RNA) where: Base-Base interactions energy: -806.057 where: short stacking energy: -374.932 Base-Backbone interact. energy: -1.664 local terms energy: -374.098409 where: bonds (distance) C4'-P energy: -68.833 bonds (distance) P-C4' energy: -69.277 flat angles C4'-P-C4' energy: -83.001 flat angles P-C4'-P energy: -44.816 tors. eta vs tors. theta energy: -108.171 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: 2, replica: 1 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1158.276213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.276213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.276213 (E_RNA) where: Base-Base interactions energy: -794.606 where: short stacking energy: -375.810 Base-Backbone interact. energy: -0.555 local terms energy: -363.114922 where: bonds (distance) C4'-P energy: -63.058 bonds (distance) P-C4' energy: -57.469 flat angles C4'-P-C4' energy: -81.129 flat angles P-C4'-P energy: -48.474 tors. eta vs tors. theta energy: -112.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1094.978533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.978533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.978533 (E_RNA) where: Base-Base interactions energy: -728.857 where: short stacking energy: -340.545 Base-Backbone interact. energy: -1.620 local terms energy: -364.500678 where: bonds (distance) C4'-P energy: -60.079 bonds (distance) P-C4' energy: -66.747 flat angles C4'-P-C4' energy: -80.217 flat angles P-C4'-P energy: -57.659 tors. eta vs tors. theta energy: -99.798 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: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1000.884719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.884719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.884719 (E_RNA) where: Base-Base interactions energy: -655.579 where: short stacking energy: -316.343 Base-Backbone interact. energy: 0.387 local terms energy: -345.693240 where: bonds (distance) C4'-P energy: -68.513 bonds (distance) P-C4' energy: -66.658 flat angles C4'-P-C4' energy: -73.647 flat angles P-C4'-P energy: -42.449 tors. eta vs tors. theta energy: -94.425 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: 5 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -968.063753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.063753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.063753 (E_RNA) where: Base-Base interactions energy: -667.819 where: short stacking energy: -275.691 Base-Backbone interact. energy: -0.693 local terms energy: -299.552106 where: bonds (distance) C4'-P energy: -47.568 bonds (distance) P-C4' energy: -66.673 flat angles C4'-P-C4' energy: -60.069 flat angles P-C4'-P energy: -47.234 tors. eta vs tors. theta energy: -78.008 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: 3 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -856.330884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.330884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.330884 (E_RNA) where: Base-Base interactions energy: -556.204 where: short stacking energy: -263.631 Base-Backbone interact. energy: -0.753 local terms energy: -299.373914 where: bonds (distance) C4'-P energy: -65.431 bonds (distance) P-C4' energy: -59.722 flat angles C4'-P-C4' energy: -62.565 flat angles P-C4'-P energy: -44.713 tors. eta vs tors. theta energy: -66.942 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: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -766.531340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.531340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.531340 (E_RNA) where: Base-Base interactions energy: -484.490 where: short stacking energy: -239.256 Base-Backbone interact. energy: 1.498 local terms energy: -283.539334 where: bonds (distance) C4'-P energy: -69.263 bonds (distance) P-C4' energy: -49.485 flat angles C4'-P-C4' energy: -59.215 flat angles P-C4'-P energy: -41.485 tors. eta vs tors. theta energy: -64.091 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: 8, replica: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -610.175036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.175036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.175036 (E_RNA) where: Base-Base interactions energy: -348.138 where: short stacking energy: -193.441 Base-Backbone interact. energy: -1.322 local terms energy: -260.714518 where: bonds (distance) C4'-P energy: -53.746 bonds (distance) P-C4' energy: -66.166 flat angles C4'-P-C4' energy: -58.899 flat angles P-C4'-P energy: -50.391 tors. eta vs tors. theta energy: -31.512 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: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -326.519346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.519346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.519346 (E_RNA) where: Base-Base interactions energy: -122.165 where: short stacking energy: -78.904 Base-Backbone interact. energy: 0.920 local terms energy: -205.273842 where: bonds (distance) C4'-P energy: -58.983 bonds (distance) P-C4' energy: -73.628 flat angles C4'-P-C4' energy: -52.262 flat angles P-C4'-P energy: -20.225 tors. eta vs tors. theta energy: -0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -277.915474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.915474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.915474 (E_RNA) where: Base-Base interactions energy: -99.441 where: short stacking energy: -89.961 Base-Backbone interact. energy: 2.015 local terms energy: -180.489772 where: bonds (distance) C4'-P energy: -54.323 bonds (distance) P-C4' energy: -65.530 flat angles C4'-P-C4' energy: -40.708 flat angles P-C4'-P energy: -18.785 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1185.323114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.323114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.323114 (E_RNA) where: Base-Base interactions energy: -810.621 where: short stacking energy: -364.927 Base-Backbone interact. energy: -0.753 local terms energy: -373.948859 where: bonds (distance) C4'-P energy: -63.241 bonds (distance) P-C4' energy: -75.947 flat angles C4'-P-C4' energy: -75.865 flat angles P-C4'-P energy: -50.988 tors. eta vs tors. theta energy: -107.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1146.244481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.244481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.244481 (E_RNA) where: Base-Base interactions energy: -774.496 where: short stacking energy: -361.192 Base-Backbone interact. energy: -0.129 local terms energy: -371.619160 where: bonds (distance) C4'-P energy: -64.008 bonds (distance) P-C4' energy: -70.572 flat angles C4'-P-C4' energy: -76.672 flat angles P-C4'-P energy: -54.674 tors. eta vs tors. theta energy: -105.695 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: 3, replica: 4 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1082.077030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.077030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.077030 (E_RNA) where: Base-Base interactions energy: -741.832 where: short stacking energy: -342.726 Base-Backbone interact. energy: -0.337 local terms energy: -339.908869 where: bonds (distance) C4'-P energy: -48.925 bonds (distance) P-C4' energy: -64.847 flat angles C4'-P-C4' energy: -73.037 flat angles P-C4'-P energy: -45.029 tors. eta vs tors. theta energy: -108.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -985.065666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.065666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.065666 (E_RNA) where: Base-Base interactions energy: -639.379 where: short stacking energy: -305.778 Base-Backbone interact. energy: -0.180 local terms energy: -345.506378 where: bonds (distance) C4'-P energy: -71.752 bonds (distance) P-C4' energy: -66.825 flat angles C4'-P-C4' energy: -76.583 flat angles P-C4'-P energy: -42.622 tors. eta vs tors. theta energy: -87.723 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: 5, replica: 5 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -972.902719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.902719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.902719 (E_RNA) where: Base-Base interactions energy: -669.090 where: short stacking energy: -304.003 Base-Backbone interact. energy: 4.570 local terms energy: -308.382591 where: bonds (distance) C4'-P energy: -64.587 bonds (distance) P-C4' energy: -62.343 flat angles C4'-P-C4' energy: -65.039 flat angles P-C4'-P energy: -45.118 tors. eta vs tors. theta energy: -71.295 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: 3 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -875.475621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.475621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.475621 (E_RNA) where: Base-Base interactions energy: -576.539 where: short stacking energy: -265.097 Base-Backbone interact. energy: 0.696 local terms energy: -299.633256 where: bonds (distance) C4'-P energy: -57.462 bonds (distance) P-C4' energy: -64.663 flat angles C4'-P-C4' energy: -62.475 flat angles P-C4'-P energy: -43.776 tors. eta vs tors. theta energy: -71.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -760.065447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.065447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.065447 (E_RNA) where: Base-Base interactions energy: -481.462 where: short stacking energy: -218.883 Base-Backbone interact. energy: 0.512 local terms energy: -279.115641 where: bonds (distance) C4'-P energy: -64.285 bonds (distance) P-C4' energy: -73.245 flat angles C4'-P-C4' energy: -70.757 flat angles P-C4'-P energy: -23.084 tors. eta vs tors. theta energy: -47.745 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: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -606.222212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.222212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.222212 (E_RNA) where: Base-Base interactions energy: -371.902 where: short stacking energy: -204.355 Base-Backbone interact. energy: -1.375 local terms energy: -232.945067 where: bonds (distance) C4'-P energy: -50.110 bonds (distance) P-C4' energy: -53.595 flat angles C4'-P-C4' energy: -66.760 flat angles P-C4'-P energy: -17.482 tors. eta vs tors. theta energy: -44.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -280.865881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.865881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.865881 (E_RNA) where: Base-Base interactions energy: -92.022 where: short stacking energy: -88.654 Base-Backbone interact. energy: -0.659 local terms energy: -188.184416 where: bonds (distance) C4'-P energy: -53.628 bonds (distance) P-C4' energy: -67.902 flat angles C4'-P-C4' energy: -44.850 flat angles P-C4'-P energy: -36.508 tors. eta vs tors. theta energy: 14.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -295.714622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.714622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.714622 (E_RNA) where: Base-Base interactions energy: -124.985 where: short stacking energy: -86.697 Base-Backbone interact. energy: 0.337 local terms energy: -171.066404 where: bonds (distance) C4'-P energy: -61.136 bonds (distance) P-C4' energy: -58.209 flat angles C4'-P-C4' energy: -40.728 flat angles P-C4'-P energy: -23.660 tors. eta vs tors. theta energy: 12.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1193.519440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.519440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.519440 (E_RNA) where: Base-Base interactions energy: -813.966 where: short stacking energy: -367.054 Base-Backbone interact. energy: -0.717 local terms energy: -378.836556 where: bonds (distance) C4'-P energy: -70.052 bonds (distance) P-C4' energy: -65.650 flat angles C4'-P-C4' energy: -78.125 flat angles P-C4'-P energy: -58.603 tors. eta vs tors. theta energy: -106.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1127.845620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.845620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.845620 (E_RNA) where: Base-Base interactions energy: -758.963 where: short stacking energy: -354.793 Base-Backbone interact. energy: 0.285 local terms energy: -369.167278 where: bonds (distance) C4'-P energy: -64.853 bonds (distance) P-C4' energy: -67.262 flat angles C4'-P-C4' energy: -75.655 flat angles P-C4'-P energy: -53.228 tors. eta vs tors. theta energy: -108.169 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: 4 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1065.754058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.754058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.754058 (E_RNA) where: Base-Base interactions energy: -709.830 where: short stacking energy: -333.980 Base-Backbone interact. energy: 1.571 local terms energy: -357.495720 where: bonds (distance) C4'-P energy: -63.371 bonds (distance) P-C4' energy: -73.560 flat angles C4'-P-C4' energy: -77.645 flat angles P-C4'-P energy: -48.704 tors. eta vs tors. theta energy: -94.215 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: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1008.910311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.910311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.910311 (E_RNA) where: Base-Base interactions energy: -673.985 where: short stacking energy: -296.248 Base-Backbone interact. energy: 0.689 local terms energy: -335.614433 where: bonds (distance) C4'-P energy: -65.727 bonds (distance) P-C4' energy: -69.498 flat angles C4'-P-C4' energy: -74.352 flat angles P-C4'-P energy: -49.549 tors. eta vs tors. theta energy: -76.487 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: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -989.057699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.057699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.057699 (E_RNA) where: Base-Base interactions energy: -644.525 where: short stacking energy: -308.214 Base-Backbone interact. energy: 1.855 local terms energy: -346.388382 where: bonds (distance) C4'-P energy: -60.606 bonds (distance) P-C4' energy: -66.807 flat angles C4'-P-C4' energy: -72.771 flat angles P-C4'-P energy: -51.788 tors. eta vs tors. theta energy: -94.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -840.001146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.001146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.001146 (E_RNA) where: Base-Base interactions energy: -558.505 where: short stacking energy: -265.211 Base-Backbone interact. energy: -1.545 local terms energy: -279.950293 where: bonds (distance) C4'-P energy: -42.569 bonds (distance) P-C4' energy: -65.970 flat angles C4'-P-C4' energy: -60.634 flat angles P-C4'-P energy: -37.145 tors. eta vs tors. theta energy: -73.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -736.291620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.291620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.291620 (E_RNA) where: Base-Base interactions energy: -466.662 where: short stacking energy: -215.377 Base-Backbone interact. energy: -0.514 local terms energy: -269.115682 where: bonds (distance) C4'-P energy: -57.469 bonds (distance) P-C4' energy: -63.972 flat angles C4'-P-C4' energy: -64.267 flat angles P-C4'-P energy: -42.955 tors. eta vs tors. theta energy: -40.453 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: 8, replica: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -613.761575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.761575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.761575 (E_RNA) where: Base-Base interactions energy: -339.904 where: short stacking energy: -195.445 Base-Backbone interact. energy: -1.046 local terms energy: -272.811411 where: bonds (distance) C4'-P energy: -59.488 bonds (distance) P-C4' energy: -64.327 flat angles C4'-P-C4' energy: -65.048 flat angles P-C4'-P energy: -35.107 tors. eta vs tors. theta energy: -48.842 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: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -326.609779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.609779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.609779 (E_RNA) where: Base-Base interactions energy: -119.461 where: short stacking energy: -114.363 Base-Backbone interact. energy: 0.742 local terms energy: -207.891127 where: bonds (distance) C4'-P energy: -59.981 bonds (distance) P-C4' energy: -51.976 flat angles C4'-P-C4' energy: -58.657 flat angles P-C4'-P energy: -26.891 tors. eta vs tors. theta energy: -10.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -379.732728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.732728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.732728 (E_RNA) where: Base-Base interactions energy: -197.925 where: short stacking energy: -112.708 Base-Backbone interact. energy: 2.308 local terms energy: -184.116250 where: bonds (distance) C4'-P energy: -60.922 bonds (distance) P-C4' energy: -64.962 flat angles C4'-P-C4' energy: -35.542 flat angles P-C4'-P energy: -28.647 tors. eta vs tors. theta energy: 5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1142.668156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.668156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.668156 (E_RNA) where: Base-Base interactions energy: -776.114 where: short stacking energy: -352.948 Base-Backbone interact. energy: -2.212 local terms energy: -364.342053 where: bonds (distance) C4'-P energy: -65.025 bonds (distance) P-C4' energy: -72.599 flat angles C4'-P-C4' energy: -75.733 flat angles P-C4'-P energy: -49.709 tors. eta vs tors. theta energy: -101.277 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: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1146.257410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.257410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.257410 (E_RNA) where: Base-Base interactions energy: -769.020 where: short stacking energy: -345.019 Base-Backbone interact. energy: -1.517 local terms energy: -375.720730 where: bonds (distance) C4'-P energy: -74.603 bonds (distance) P-C4' energy: -66.357 flat angles C4'-P-C4' energy: -81.603 flat angles P-C4'-P energy: -52.293 tors. eta vs tors. theta energy: -100.865 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: 4 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1056.212298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.212298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.212298 (E_RNA) where: Base-Base interactions energy: -710.444 where: short stacking energy: -322.338 Base-Backbone interact. energy: -0.144 local terms energy: -345.624162 where: bonds (distance) C4'-P energy: -59.203 bonds (distance) P-C4' energy: -76.863 flat angles C4'-P-C4' energy: -75.753 flat angles P-C4'-P energy: -42.489 tors. eta vs tors. theta energy: -91.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1012.331445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.331445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.331445 (E_RNA) where: Base-Base interactions energy: -707.244 where: short stacking energy: -304.657 Base-Backbone interact. energy: 0.180 local terms energy: -305.267367 where: bonds (distance) C4'-P energy: -60.536 bonds (distance) P-C4' energy: -70.782 flat angles C4'-P-C4' energy: -59.926 flat angles P-C4'-P energy: -43.861 tors. eta vs tors. theta energy: -70.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -941.928567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.928567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.928567 (E_RNA) where: Base-Base interactions energy: -617.202 where: short stacking energy: -300.930 Base-Backbone interact. energy: -0.828 local terms energy: -323.898973 where: bonds (distance) C4'-P energy: -68.239 bonds (distance) P-C4' energy: -59.435 flat angles C4'-P-C4' energy: -71.594 flat angles P-C4'-P energy: -42.479 tors. eta vs tors. theta energy: -82.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -805.599815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.599815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.599815 (E_RNA) where: Base-Base interactions energy: -521.096 where: short stacking energy: -234.066 Base-Backbone interact. energy: -1.398 local terms energy: -283.105426 where: bonds (distance) C4'-P energy: -61.176 bonds (distance) P-C4' energy: -66.144 flat angles C4'-P-C4' energy: -65.372 flat angles P-C4'-P energy: -39.480 tors. eta vs tors. theta energy: -50.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -742.906564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.906564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.906564 (E_RNA) where: Base-Base interactions energy: -452.894 where: short stacking energy: -219.910 Base-Backbone interact. energy: 2.363 local terms energy: -292.376257 where: bonds (distance) C4'-P energy: -65.105 bonds (distance) P-C4' energy: -70.738 flat angles C4'-P-C4' energy: -66.104 flat angles P-C4'-P energy: -35.769 tors. eta vs tors. theta energy: -54.660 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: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -637.757172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.757172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.757172 (E_RNA) where: Base-Base interactions energy: -381.011 where: short stacking energy: -204.262 Base-Backbone interact. energy: -1.487 local terms energy: -255.258456 where: bonds (distance) C4'-P energy: -53.736 bonds (distance) P-C4' energy: -65.662 flat angles C4'-P-C4' energy: -44.877 flat angles P-C4'-P energy: -35.987 tors. eta vs tors. theta energy: -54.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -403.198849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.198849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.198849 (E_RNA) where: Base-Base interactions energy: -189.225 where: short stacking energy: -143.935 Base-Backbone interact. energy: -0.168 local terms energy: -213.806393 where: bonds (distance) C4'-P energy: -52.138 bonds (distance) P-C4' energy: -69.912 flat angles C4'-P-C4' energy: -50.041 flat angles P-C4'-P energy: -24.039 tors. eta vs tors. theta energy: -17.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -285.423835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.423835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.423835 (E_RNA) where: Base-Base interactions energy: -100.167 where: short stacking energy: -99.422 Base-Backbone interact. energy: -0.433 local terms energy: -184.823309 where: bonds (distance) C4'-P energy: -51.328 bonds (distance) P-C4' energy: -60.644 flat angles C4'-P-C4' energy: -48.150 flat angles P-C4'-P energy: -24.243 tors. eta vs tors. theta energy: -0.457 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: 1, replica: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1165.639184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.639184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.639184 (E_RNA) where: Base-Base interactions energy: -782.150 where: short stacking energy: -363.891 Base-Backbone interact. energy: 1.415 local terms energy: -384.904432 where: bonds (distance) C4'-P energy: -64.478 bonds (distance) P-C4' energy: -75.086 flat angles C4'-P-C4' energy: -80.848 flat angles P-C4'-P energy: -54.348 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: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1139.144334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.144334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.144334 (E_RNA) where: Base-Base interactions energy: -774.516 where: short stacking energy: -353.382 Base-Backbone interact. energy: 2.326 local terms energy: -366.953800 where: bonds (distance) C4'-P energy: -63.316 bonds (distance) P-C4' energy: -66.520 flat angles C4'-P-C4' energy: -74.755 flat angles P-C4'-P energy: -56.350 tors. eta vs tors. theta energy: -106.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1054.043890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.043890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.043890 (E_RNA) where: Base-Base interactions energy: -687.581 where: short stacking energy: -322.992 Base-Backbone interact. energy: 0.690 local terms energy: -367.153239 where: bonds (distance) C4'-P energy: -66.256 bonds (distance) P-C4' energy: -68.935 flat angles C4'-P-C4' energy: -75.486 flat angles P-C4'-P energy: -57.766 tors. eta vs tors. theta energy: -98.710 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: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1026.233862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.233862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.233862 (E_RNA) where: Base-Base interactions energy: -687.774 where: short stacking energy: -301.175 Base-Backbone interact. energy: -1.654 local terms energy: -336.805754 where: bonds (distance) C4'-P energy: -66.508 bonds (distance) P-C4' energy: -59.872 flat angles C4'-P-C4' energy: -79.374 flat angles P-C4'-P energy: -48.563 tors. eta vs tors. theta energy: -82.489 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: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -981.579375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.579375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.579375 (E_RNA) where: Base-Base interactions energy: -635.530 where: short stacking energy: -318.667 Base-Backbone interact. energy: -0.398 local terms energy: -345.651673 where: bonds (distance) C4'-P energy: -57.186 bonds (distance) P-C4' energy: -73.425 flat angles C4'-P-C4' energy: -64.717 flat angles P-C4'-P energy: -58.468 tors. eta vs tors. theta energy: -91.856 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: 3 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -820.464632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.464632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.464632 (E_RNA) where: Base-Base interactions energy: -529.985 where: short stacking energy: -256.053 Base-Backbone interact. energy: 0.780 local terms energy: -291.259742 where: bonds (distance) C4'-P energy: -57.755 bonds (distance) P-C4' energy: -65.350 flat angles C4'-P-C4' energy: -71.573 flat angles P-C4'-P energy: -38.312 tors. eta vs tors. theta energy: -58.269 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: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -711.236620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.236620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.236620 (E_RNA) where: Base-Base interactions energy: -449.582 where: short stacking energy: -227.979 Base-Backbone interact. energy: 4.442 local terms energy: -266.096410 where: bonds (distance) C4'-P energy: -60.041 bonds (distance) P-C4' energy: -64.441 flat angles C4'-P-C4' energy: -56.794 flat angles P-C4'-P energy: -35.183 tors. eta vs tors. theta energy: -49.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -622.075947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.075947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.075947 (E_RNA) where: Base-Base interactions energy: -363.847 where: short stacking energy: -205.579 Base-Backbone interact. energy: 4.377 local terms energy: -262.606430 where: bonds (distance) C4'-P energy: -48.480 bonds (distance) P-C4' energy: -59.519 flat angles C4'-P-C4' energy: -63.667 flat angles P-C4'-P energy: -39.535 tors. eta vs tors. theta energy: -51.406 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: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -420.069036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.069036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.069036 (E_RNA) where: Base-Base interactions energy: -205.449 where: short stacking energy: -129.643 Base-Backbone interact. energy: -2.328 local terms energy: -212.291765 where: bonds (distance) C4'-P energy: -52.065 bonds (distance) P-C4' energy: -65.472 flat angles C4'-P-C4' energy: -42.772 flat angles P-C4'-P energy: -31.339 tors. eta vs tors. theta energy: -20.644 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: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -294.291659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.291659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.291659 (E_RNA) where: Base-Base interactions energy: -109.617 where: short stacking energy: -96.729 Base-Backbone interact. energy: -0.189 local terms energy: -184.485973 where: bonds (distance) C4'-P energy: -46.763 bonds (distance) P-C4' energy: -56.977 flat angles C4'-P-C4' energy: -45.213 flat angles P-C4'-P energy: -30.032 tors. eta vs tors. theta energy: -5.501 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: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1172.188418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.188418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.188418 (E_RNA) where: Base-Base interactions energy: -787.714 where: short stacking energy: -368.894 Base-Backbone interact. energy: 0.722 local terms energy: -385.196498 where: bonds (distance) C4'-P energy: -72.714 bonds (distance) P-C4' energy: -68.499 flat angles C4'-P-C4' energy: -80.777 flat angles P-C4'-P energy: -58.135 tors. eta vs tors. theta energy: -105.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1157.448833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.448833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.448833 (E_RNA) where: Base-Base interactions energy: -783.164 where: short stacking energy: -362.183 Base-Backbone interact. energy: -0.596 local terms energy: -373.688959 where: bonds (distance) C4'-P energy: -70.424 bonds (distance) P-C4' energy: -71.808 flat angles C4'-P-C4' energy: -79.029 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -102.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1092.346555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.346555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.346555 (E_RNA) where: Base-Base interactions energy: -745.698 where: short stacking energy: -335.577 Base-Backbone interact. energy: 2.745 local terms energy: -349.392969 where: bonds (distance) C4'-P energy: -68.778 bonds (distance) P-C4' energy: -65.752 flat angles C4'-P-C4' energy: -72.569 flat angles P-C4'-P energy: -54.169 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: 4, replica: 4 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1025.079803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.079803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.079803 (E_RNA) where: Base-Base interactions energy: -690.911 where: short stacking energy: -314.248 Base-Backbone interact. energy: -1.327 local terms energy: -332.841579 where: bonds (distance) C4'-P energy: -52.448 bonds (distance) P-C4' energy: -66.612 flat angles C4'-P-C4' energy: -67.925 flat angles P-C4'-P energy: -48.064 tors. eta vs tors. theta energy: -97.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -973.256882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.256882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.256882 (E_RNA) where: Base-Base interactions energy: -642.189 where: short stacking energy: -296.600 Base-Backbone interact. energy: 0.010 local terms energy: -331.077405 where: bonds (distance) C4'-P energy: -56.236 bonds (distance) P-C4' energy: -69.193 flat angles C4'-P-C4' energy: -74.782 flat angles P-C4'-P energy: -44.104 tors. eta vs tors. theta energy: -86.762 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: 3 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -821.233617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.233617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.233617 (E_RNA) where: Base-Base interactions energy: -523.983 where: short stacking energy: -243.209 Base-Backbone interact. energy: -1.420 local terms energy: -295.830734 where: bonds (distance) C4'-P energy: -64.063 bonds (distance) P-C4' energy: -64.119 flat angles C4'-P-C4' energy: -61.922 flat angles P-C4'-P energy: -42.972 tors. eta vs tors. theta energy: -62.755 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: 450 Temperature: 1.200000 Total energy: -731.732032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.732032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.732032 (E_RNA) where: Base-Base interactions energy: -457.348 where: short stacking energy: -217.559 Base-Backbone interact. energy: -1.383 local terms energy: -273.000445 where: bonds (distance) C4'-P energy: -64.128 bonds (distance) P-C4' energy: -58.210 flat angles C4'-P-C4' energy: -61.979 flat angles P-C4'-P energy: -43.109 tors. eta vs tors. theta energy: -45.574 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: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -603.815726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.815726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.815726 (E_RNA) where: Base-Base interactions energy: -350.009 where: short stacking energy: -196.825 Base-Backbone interact. energy: 0.890 local terms energy: -254.696671 where: bonds (distance) C4'-P energy: -63.769 bonds (distance) P-C4' energy: -66.468 flat angles C4'-P-C4' energy: -56.066 flat angles P-C4'-P energy: -32.659 tors. eta vs tors. theta energy: -35.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -433.379319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.379319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.379319 (E_RNA) where: Base-Base interactions energy: -224.285 where: short stacking energy: -127.037 Base-Backbone interact. energy: 2.417 local terms energy: -211.511605 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -52.113 flat angles C4'-P-C4' energy: -52.909 flat angles P-C4'-P energy: -29.076 tors. eta vs tors. theta energy: -21.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -291.047736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.047736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.047736 (E_RNA) where: Base-Base interactions energy: -113.084 where: short stacking energy: -88.187 Base-Backbone interact. energy: -1.183 local terms energy: -176.780667 where: bonds (distance) C4'-P energy: -57.105 bonds (distance) P-C4' energy: -50.855 flat angles C4'-P-C4' energy: -39.696 flat angles P-C4'-P energy: -25.501 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: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1183.929660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.929660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.929660 (E_RNA) where: Base-Base interactions energy: -795.975 where: short stacking energy: -388.299 Base-Backbone interact. energy: 0.680 local terms energy: -388.634931 where: bonds (distance) C4'-P energy: -59.315 bonds (distance) P-C4' energy: -75.386 flat angles C4'-P-C4' energy: -83.036 flat angles P-C4'-P energy: -52.618 tors. eta vs tors. theta energy: -118.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1115.164371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.164371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.164371 (E_RNA) where: Base-Base interactions energy: -766.055 where: short stacking energy: -368.534 Base-Backbone interact. energy: 0.025 local terms energy: -349.134358 where: bonds (distance) C4'-P energy: -62.536 bonds (distance) P-C4' energy: -60.980 flat angles C4'-P-C4' energy: -73.123 flat angles P-C4'-P energy: -53.352 tors. eta vs tors. theta energy: -99.143 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: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1057.394475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.394475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.394475 (E_RNA) where: Base-Base interactions energy: -719.607 where: short stacking energy: -306.615 Base-Backbone interact. energy: -1.858 local terms energy: -335.929485 where: bonds (distance) C4'-P energy: -62.977 bonds (distance) P-C4' energy: -71.382 flat angles C4'-P-C4' energy: -67.917 flat angles P-C4'-P energy: -54.147 tors. eta vs tors. theta energy: -79.507 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: 4 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -999.212489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.212489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.212489 (E_RNA) where: Base-Base interactions energy: -669.298 where: short stacking energy: -300.747 Base-Backbone interact. energy: -1.042 local terms energy: -328.872941 where: bonds (distance) C4'-P energy: -57.637 bonds (distance) P-C4' energy: -66.928 flat angles C4'-P-C4' energy: -71.889 flat angles P-C4'-P energy: -54.841 tors. eta vs tors. theta energy: -77.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -949.380847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.380847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.380847 (E_RNA) where: Base-Base interactions energy: -624.883 where: short stacking energy: -274.204 Base-Backbone interact. energy: -0.320 local terms energy: -324.178580 where: bonds (distance) C4'-P energy: -63.021 bonds (distance) P-C4' energy: -63.979 flat angles C4'-P-C4' energy: -69.267 flat angles P-C4'-P energy: -43.829 tors. eta vs tors. theta energy: -84.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -812.938391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.938391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.938391 (E_RNA) where: Base-Base interactions energy: -543.691 where: short stacking energy: -235.722 Base-Backbone interact. energy: -1.007 local terms energy: -268.239893 where: bonds (distance) C4'-P energy: -58.469 bonds (distance) P-C4' energy: -59.413 flat angles C4'-P-C4' energy: -63.000 flat angles P-C4'-P energy: -37.229 tors. eta vs tors. theta energy: -50.129 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: 2 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -728.537657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.537657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.537657 (E_RNA) where: Base-Base interactions energy: -443.976 where: short stacking energy: -217.093 Base-Backbone interact. energy: -1.515 local terms energy: -283.046478 where: bonds (distance) C4'-P energy: -63.982 bonds (distance) P-C4' energy: -61.132 flat angles C4'-P-C4' energy: -58.262 flat angles P-C4'-P energy: -39.456 tors. eta vs tors. theta energy: -60.215 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: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -624.281308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.281308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.281308 (E_RNA) where: Base-Base interactions energy: -362.946 where: short stacking energy: -202.212 Base-Backbone interact. energy: 0.198 local terms energy: -261.532809 where: bonds (distance) C4'-P energy: -70.369 bonds (distance) P-C4' energy: -52.385 flat angles C4'-P-C4' energy: -59.083 flat angles P-C4'-P energy: -32.401 tors. eta vs tors. theta energy: -47.294 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: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -461.062445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.062445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.062445 (E_RNA) where: Base-Base interactions energy: -234.267 where: short stacking energy: -142.646 Base-Backbone interact. energy: 1.833 local terms energy: -228.628330 where: bonds (distance) C4'-P energy: -46.550 bonds (distance) P-C4' energy: -66.594 flat angles C4'-P-C4' energy: -65.026 flat angles P-C4'-P energy: -24.418 tors. eta vs tors. theta energy: -26.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -322.438647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.438647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.438647 (E_RNA) where: Base-Base interactions energy: -132.559 where: short stacking energy: -98.189 Base-Backbone interact. energy: 0.108 local terms energy: -189.987876 where: bonds (distance) C4'-P energy: -57.864 bonds (distance) P-C4' energy: -51.169 flat angles C4'-P-C4' energy: -51.647 flat angles P-C4'-P energy: -30.377 tors. eta vs tors. theta energy: 1.069 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: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1208.450477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.450477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.450477 (E_RNA) where: Base-Base interactions energy: -812.678 where: short stacking energy: -383.409 Base-Backbone interact. energy: -2.117 local terms energy: -393.655909 where: bonds (distance) C4'-P energy: -72.467 bonds (distance) P-C4' energy: -67.466 flat angles C4'-P-C4' energy: -85.847 flat angles P-C4'-P energy: -57.811 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: 2, replica: 1 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1149.220648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.220648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.220648 (E_RNA) where: Base-Base interactions energy: -770.680 where: short stacking energy: -367.253 Base-Backbone interact. energy: -1.035 local terms energy: -377.506134 where: bonds (distance) C4'-P energy: -69.898 bonds (distance) P-C4' energy: -73.806 flat angles C4'-P-C4' energy: -71.859 flat angles P-C4'-P energy: -55.311 tors. eta vs tors. theta energy: -106.632 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: 4 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1008.575971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.575971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.575971 (E_RNA) where: Base-Base interactions energy: -674.514 where: short stacking energy: -297.352 Base-Backbone interact. energy: -0.924 local terms energy: -333.138086 where: bonds (distance) C4'-P energy: -63.319 bonds (distance) P-C4' energy: -70.604 flat angles C4'-P-C4' energy: -68.489 flat angles P-C4'-P energy: -46.390 tors. eta vs tors. theta energy: -84.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1022.441007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.441007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.441007 (E_RNA) where: Base-Base interactions energy: -707.327 where: short stacking energy: -327.358 Base-Backbone interact. energy: -3.059 local terms energy: -312.054279 where: bonds (distance) C4'-P energy: -54.004 bonds (distance) P-C4' energy: -61.275 flat angles C4'-P-C4' energy: -69.842 flat angles P-C4'-P energy: -38.943 tors. eta vs tors. theta energy: -87.991 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: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -935.391398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.391398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.391398 (E_RNA) where: Base-Base interactions energy: -621.636 where: short stacking energy: -298.013 Base-Backbone interact. energy: -0.651 local terms energy: -313.104397 where: bonds (distance) C4'-P energy: -63.006 bonds (distance) P-C4' energy: -73.202 flat angles C4'-P-C4' energy: -59.960 flat angles P-C4'-P energy: -38.152 tors. eta vs tors. theta energy: -78.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -799.121918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.121918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.121918 (E_RNA) where: Base-Base interactions energy: -520.349 where: short stacking energy: -245.317 Base-Backbone interact. energy: -1.379 local terms energy: -277.393557 where: bonds (distance) C4'-P energy: -59.987 bonds (distance) P-C4' energy: -65.609 flat angles C4'-P-C4' energy: -59.143 flat angles P-C4'-P energy: -36.535 tors. eta vs tors. theta energy: -56.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -739.927772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.927772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.927772 (E_RNA) where: Base-Base interactions energy: -497.815 where: short stacking energy: -231.334 Base-Backbone interact. energy: -0.805 local terms energy: -241.307971 where: bonds (distance) C4'-P energy: -42.604 bonds (distance) P-C4' energy: -49.893 flat angles C4'-P-C4' energy: -62.076 flat angles P-C4'-P energy: -33.633 tors. eta vs tors. theta energy: -53.103 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: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -618.322717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.322717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.322717 (E_RNA) where: Base-Base interactions energy: -343.458 where: short stacking energy: -164.106 Base-Backbone interact. energy: -0.404 local terms energy: -274.460412 where: bonds (distance) C4'-P energy: -69.041 bonds (distance) P-C4' energy: -61.977 flat angles C4'-P-C4' energy: -58.623 flat angles P-C4'-P energy: -41.132 tors. eta vs tors. theta energy: -43.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -437.796732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.796732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.796732 (E_RNA) where: Base-Base interactions energy: -198.951 where: short stacking energy: -110.515 Base-Backbone interact. energy: 0.685 local terms energy: -239.530601 where: bonds (distance) C4'-P energy: -67.064 bonds (distance) P-C4' energy: -73.026 flat angles C4'-P-C4' energy: -56.015 flat angles P-C4'-P energy: -29.369 tors. eta vs tors. theta energy: -14.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -291.623026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.623026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.623026 (E_RNA) where: Base-Base interactions energy: -103.348 where: short stacking energy: -96.251 Base-Backbone interact. energy: -0.930 local terms energy: -187.344553 where: bonds (distance) C4'-P energy: -54.655 bonds (distance) P-C4' energy: -57.889 flat angles C4'-P-C4' energy: -48.872 flat angles P-C4'-P energy: -33.175 tors. eta vs tors. theta energy: 7.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1193.236710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.236710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.236710 (E_RNA) where: Base-Base interactions energy: -814.052 where: short stacking energy: -377.686 Base-Backbone interact. energy: 1.288 local terms energy: -380.473014 where: bonds (distance) C4'-P energy: -61.591 bonds (distance) P-C4' energy: -75.078 flat angles C4'-P-C4' energy: -77.826 flat angles P-C4'-P energy: -54.386 tors. eta vs tors. theta energy: -111.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1133.353662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.353662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.353662 (E_RNA) where: Base-Base interactions energy: -764.260 where: short stacking energy: -361.175 Base-Backbone interact. energy: -0.584 local terms energy: -368.509619 where: bonds (distance) C4'-P energy: -65.855 bonds (distance) P-C4' energy: -69.018 flat angles C4'-P-C4' energy: -72.256 flat angles P-C4'-P energy: -55.376 tors. eta vs tors. theta energy: -106.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1043.592219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.592219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.592219 (E_RNA) where: Base-Base interactions energy: -712.908 where: short stacking energy: -331.585 Base-Backbone interact. energy: 3.712 local terms energy: -334.395920 where: bonds (distance) C4'-P energy: -61.954 bonds (distance) P-C4' energy: -65.275 flat angles C4'-P-C4' energy: -72.557 flat angles P-C4'-P energy: -43.478 tors. eta vs tors. theta energy: -91.132 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: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1063.813797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.813797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.813797 (E_RNA) where: Base-Base interactions energy: -728.127 where: short stacking energy: -319.564 Base-Backbone interact. energy: -0.500 local terms energy: -335.186497 where: bonds (distance) C4'-P energy: -57.582 bonds (distance) P-C4' energy: -62.791 flat angles C4'-P-C4' energy: -79.356 flat angles P-C4'-P energy: -45.647 tors. eta vs tors. theta energy: -89.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -939.573982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.573982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.573982 (E_RNA) where: Base-Base interactions energy: -607.651 where: short stacking energy: -290.125 Base-Backbone interact. energy: -0.607 local terms energy: -331.316166 where: bonds (distance) C4'-P energy: -63.075 bonds (distance) P-C4' energy: -67.903 flat angles C4'-P-C4' energy: -75.996 flat angles P-C4'-P energy: -49.698 tors. eta vs tors. theta energy: -74.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -760.035988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.035988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.035988 (E_RNA) where: Base-Base interactions energy: -483.861 where: short stacking energy: -229.904 Base-Backbone interact. energy: -1.691 local terms energy: -274.483950 where: bonds (distance) C4'-P energy: -55.169 bonds (distance) P-C4' energy: -59.518 flat angles C4'-P-C4' energy: -62.005 flat angles P-C4'-P energy: -39.235 tors. eta vs tors. theta energy: -58.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -759.695174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.695174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.695174 (E_RNA) where: Base-Base interactions energy: -470.370 where: short stacking energy: -235.660 Base-Backbone interact. energy: 0.304 local terms energy: -289.628684 where: bonds (distance) C4'-P energy: -68.646 bonds (distance) P-C4' energy: -56.417 flat angles C4'-P-C4' energy: -61.714 flat angles P-C4'-P energy: -44.285 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: 8, replica: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -607.777942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.777942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.777942 (E_RNA) where: Base-Base interactions energy: -365.609 where: short stacking energy: -191.967 Base-Backbone interact. energy: -1.198 local terms energy: -240.971293 where: bonds (distance) C4'-P energy: -57.463 bonds (distance) P-C4' energy: -59.491 flat angles C4'-P-C4' energy: -63.207 flat angles P-C4'-P energy: -22.858 tors. eta vs tors. theta energy: -37.953 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: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -452.135197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.135197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.135197 (E_RNA) where: Base-Base interactions energy: -224.664 where: short stacking energy: -153.336 Base-Backbone interact. energy: -0.583 local terms energy: -226.887807 where: bonds (distance) C4'-P energy: -50.433 bonds (distance) P-C4' energy: -53.243 flat angles C4'-P-C4' energy: -61.380 flat angles P-C4'-P energy: -39.749 tors. eta vs tors. theta energy: -22.083 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: 10, replica: 7 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -299.636987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.636987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.636987 (E_RNA) where: Base-Base interactions energy: -107.478 where: short stacking energy: -90.687 Base-Backbone interact. energy: 1.367 local terms energy: -193.526207 where: bonds (distance) C4'-P energy: -54.591 bonds (distance) P-C4' energy: -59.708 flat angles C4'-P-C4' energy: -58.104 flat angles P-C4'-P energy: -28.593 tors. eta vs tors. theta energy: 7.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1207.049447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.049447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.049447 (E_RNA) where: Base-Base interactions energy: -810.308 where: short stacking energy: -383.811 Base-Backbone interact. energy: -1.567 local terms energy: -395.174808 where: bonds (distance) C4'-P energy: -63.545 bonds (distance) P-C4' energy: -73.861 flat angles C4'-P-C4' energy: -87.174 flat angles P-C4'-P energy: -53.353 tors. eta vs tors. theta energy: -117.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1120.495792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.495792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.495792 (E_RNA) where: Base-Base interactions energy: -747.448 where: short stacking energy: -347.576 Base-Backbone interact. energy: -1.879 local terms energy: -371.169320 where: bonds (distance) C4'-P energy: -59.495 bonds (distance) P-C4' energy: -64.594 flat angles C4'-P-C4' energy: -81.944 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -107.471 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: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1067.033994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.033994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.033994 (E_RNA) where: Base-Base interactions energy: -721.417 where: short stacking energy: -336.568 Base-Backbone interact. energy: -1.809 local terms energy: -343.807929 where: bonds (distance) C4'-P energy: -59.508 bonds (distance) P-C4' energy: -69.763 flat angles C4'-P-C4' energy: -73.461 flat angles P-C4'-P energy: -47.985 tors. eta vs tors. theta energy: -93.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1005.581502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.581502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.581502 (E_RNA) where: Base-Base interactions energy: -683.953 where: short stacking energy: -276.363 Base-Backbone interact. energy: -0.161 local terms energy: -321.466935 where: bonds (distance) C4'-P energy: -58.210 bonds (distance) P-C4' energy: -71.325 flat angles C4'-P-C4' energy: -71.538 flat angles P-C4'-P energy: -44.696 tors. eta vs tors. theta energy: -75.698 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: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -916.181031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.181031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.181031 (E_RNA) where: Base-Base interactions energy: -628.252 where: short stacking energy: -281.785 Base-Backbone interact. energy: 0.082 local terms energy: -288.011627 where: bonds (distance) C4'-P energy: -45.438 bonds (distance) P-C4' energy: -60.687 flat angles C4'-P-C4' energy: -67.459 flat angles P-C4'-P energy: -43.061 tors. eta vs tors. theta energy: -71.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -790.243806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.243806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.243806 (E_RNA) where: Base-Base interactions energy: -497.648 where: short stacking energy: -233.845 Base-Backbone interact. energy: 1.632 local terms energy: -294.227763 where: bonds (distance) C4'-P energy: -62.956 bonds (distance) P-C4' energy: -68.667 flat angles C4'-P-C4' energy: -65.722 flat angles P-C4'-P energy: -47.522 tors. eta vs tors. theta energy: -49.361 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: 3 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -793.716950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.716950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.716950 (E_RNA) where: Base-Base interactions energy: -518.895 where: short stacking energy: -229.445 Base-Backbone interact. energy: -0.893 local terms energy: -273.929400 where: bonds (distance) C4'-P energy: -56.438 bonds (distance) P-C4' energy: -65.548 flat angles C4'-P-C4' energy: -55.643 flat angles P-C4'-P energy: -37.547 tors. eta vs tors. theta energy: -58.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -634.913353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.913353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.913353 (E_RNA) where: Base-Base interactions energy: -376.926 where: short stacking energy: -213.823 Base-Backbone interact. energy: -1.705 local terms energy: -256.281596 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -66.027 flat angles C4'-P-C4' energy: -60.293 flat angles P-C4'-P energy: -24.517 tors. eta vs tors. theta energy: -49.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -442.241007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.241007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.241007 (E_RNA) where: Base-Base interactions energy: -223.599 where: short stacking energy: -123.736 Base-Backbone interact. energy: -0.788 local terms energy: -217.854484 where: bonds (distance) C4'-P energy: -55.029 bonds (distance) P-C4' energy: -57.990 flat angles C4'-P-C4' energy: -58.142 flat angles P-C4'-P energy: -24.119 tors. eta vs tors. theta energy: -22.575 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: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -301.811912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.811912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.811912 (E_RNA) where: Base-Base interactions energy: -93.578 where: short stacking energy: -93.951 Base-Backbone interact. energy: -0.471 local terms energy: -207.763217 where: bonds (distance) C4'-P energy: -59.744 bonds (distance) P-C4' energy: -46.467 flat angles C4'-P-C4' energy: -64.420 flat angles P-C4'-P energy: -41.686 tors. eta vs tors. theta energy: 4.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1172.640151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.640151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.640151 (E_RNA) where: Base-Base interactions energy: -792.355 where: short stacking energy: -368.936 Base-Backbone interact. energy: -1.210 local terms energy: -379.075049 where: bonds (distance) C4'-P energy: -62.656 bonds (distance) P-C4' energy: -75.003 flat angles C4'-P-C4' energy: -82.144 flat angles P-C4'-P energy: -46.598 tors. eta vs tors. theta energy: -112.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1098.724575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.724575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.724575 (E_RNA) where: Base-Base interactions energy: -739.778 where: short stacking energy: -331.611 Base-Backbone interact. energy: 2.105 local terms energy: -361.051168 where: bonds (distance) C4'-P energy: -69.264 bonds (distance) P-C4' energy: -69.774 flat angles C4'-P-C4' energy: -75.991 flat angles P-C4'-P energy: -47.328 tors. eta vs tors. theta energy: -98.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1062.330584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.330584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.330584 (E_RNA) where: Base-Base interactions energy: -700.642 where: short stacking energy: -330.383 Base-Backbone interact. energy: -2.439 local terms energy: -359.249200 where: bonds (distance) C4'-P energy: -68.921 bonds (distance) P-C4' energy: -72.382 flat angles C4'-P-C4' energy: -72.872 flat angles P-C4'-P energy: -51.688 tors. eta vs tors. theta energy: -93.386 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: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1040.263470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.263470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.263470 (E_RNA) where: Base-Base interactions energy: -708.542 where: short stacking energy: -322.670 Base-Backbone interact. energy: 1.556 local terms energy: -333.278089 where: bonds (distance) C4'-P energy: -62.687 bonds (distance) P-C4' energy: -61.533 flat angles C4'-P-C4' energy: -73.329 flat angles P-C4'-P energy: -50.137 tors. eta vs tors. theta energy: -85.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -962.424432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.424432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.424432 (E_RNA) where: Base-Base interactions energy: -628.152 where: short stacking energy: -312.371 Base-Backbone interact. energy: -0.278 local terms energy: -333.994507 where: bonds (distance) C4'-P energy: -58.406 bonds (distance) P-C4' energy: -63.075 flat angles C4'-P-C4' energy: -68.986 flat angles P-C4'-P energy: -50.865 tors. eta vs tors. theta energy: -92.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -809.247692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.247692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.247692 (E_RNA) where: Base-Base interactions energy: -529.430 where: short stacking energy: -238.866 Base-Backbone interact. energy: 0.140 local terms energy: -279.957241 where: bonds (distance) C4'-P energy: -64.141 bonds (distance) P-C4' energy: -70.938 flat angles C4'-P-C4' energy: -55.254 flat angles P-C4'-P energy: -32.480 tors. eta vs tors. theta energy: -57.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -710.775294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.775294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.775294 (E_RNA) where: Base-Base interactions energy: -451.496 where: short stacking energy: -201.821 Base-Backbone interact. energy: 1.605 local terms energy: -260.883507 where: bonds (distance) C4'-P energy: -65.911 bonds (distance) P-C4' energy: -58.767 flat angles C4'-P-C4' energy: -65.810 flat angles P-C4'-P energy: -33.347 tors. eta vs tors. theta energy: -37.049 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: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -578.691128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.691128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.691128 (E_RNA) where: Base-Base interactions energy: -349.849 where: short stacking energy: -177.951 Base-Backbone interact. energy: 0.559 local terms energy: -229.401700 where: bonds (distance) C4'-P energy: -52.007 bonds (distance) P-C4' energy: -52.886 flat angles C4'-P-C4' energy: -52.101 flat angles P-C4'-P energy: -48.599 tors. eta vs tors. theta energy: -23.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -454.949343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.949343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.949343 (E_RNA) where: Base-Base interactions energy: -258.641 where: short stacking energy: -136.253 Base-Backbone interact. energy: 2.734 local terms energy: -199.042250 where: bonds (distance) C4'-P energy: -57.659 bonds (distance) P-C4' energy: -51.814 flat angles C4'-P-C4' energy: -47.827 flat angles P-C4'-P energy: -29.572 tors. eta vs tors. theta energy: -12.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -305.714462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.714462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.714462 (E_RNA) where: Base-Base interactions energy: -104.619 where: short stacking energy: -99.413 Base-Backbone interact. energy: 0.799 local terms energy: -201.894205 where: bonds (distance) C4'-P energy: -53.895 bonds (distance) P-C4' energy: -75.222 flat angles C4'-P-C4' energy: -54.336 flat angles P-C4'-P energy: -23.663 tors. eta vs tors. theta energy: 5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1184.885022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.885022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.885022 (E_RNA) where: Base-Base interactions energy: -802.833 where: short stacking energy: -375.588 Base-Backbone interact. energy: -0.545 local terms energy: -381.506673 where: bonds (distance) C4'-P energy: -67.820 bonds (distance) P-C4' energy: -70.241 flat angles C4'-P-C4' energy: -79.521 flat angles P-C4'-P energy: -55.072 tors. eta vs tors. theta energy: -108.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1109.539800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.539800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.539800 (E_RNA) where: Base-Base interactions energy: -749.189 where: short stacking energy: -357.551 Base-Backbone interact. energy: -1.313 local terms energy: -359.038384 where: bonds (distance) C4'-P energy: -64.087 bonds (distance) P-C4' energy: -73.608 flat angles C4'-P-C4' energy: -71.523 flat angles P-C4'-P energy: -51.257 tors. eta vs tors. theta energy: -98.564 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: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1056.638300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.638300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.638300 (E_RNA) where: Base-Base interactions energy: -703.163 where: short stacking energy: -327.860 Base-Backbone interact. energy: -1.272 local terms energy: -352.203094 where: bonds (distance) C4'-P energy: -58.894 bonds (distance) P-C4' energy: -69.124 flat angles C4'-P-C4' energy: -77.112 flat angles P-C4'-P energy: -53.796 tors. eta vs tors. theta energy: -93.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1015.990856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.990856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.990856 (E_RNA) where: Base-Base interactions energy: -689.495 where: short stacking energy: -295.207 Base-Backbone interact. energy: -1.087 local terms energy: -325.408850 where: bonds (distance) C4'-P energy: -58.706 bonds (distance) P-C4' energy: -65.006 flat angles C4'-P-C4' energy: -72.861 flat angles P-C4'-P energy: -47.751 tors. eta vs tors. theta energy: -81.085 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: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -976.245126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.245126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.245126 (E_RNA) where: Base-Base interactions energy: -633.090 where: short stacking energy: -325.700 Base-Backbone interact. energy: -0.880 local terms energy: -342.275085 where: bonds (distance) C4'-P energy: -60.037 bonds (distance) P-C4' energy: -74.557 flat angles C4'-P-C4' energy: -71.290 flat angles P-C4'-P energy: -49.683 tors. eta vs tors. theta energy: -86.707 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: 3 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -827.997723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.997723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.997723 (E_RNA) where: Base-Base interactions energy: -537.960 where: short stacking energy: -275.874 Base-Backbone interact. energy: -0.529 local terms energy: -289.509063 where: bonds (distance) C4'-P energy: -55.758 bonds (distance) P-C4' energy: -67.491 flat angles C4'-P-C4' energy: -56.254 flat angles P-C4'-P energy: -39.563 tors. eta vs tors. theta energy: -70.442 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: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -728.753001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.753001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.753001 (E_RNA) where: Base-Base interactions energy: -451.275 where: short stacking energy: -208.768 Base-Backbone interact. energy: 2.211 local terms energy: -279.689008 where: bonds (distance) C4'-P energy: -58.071 bonds (distance) P-C4' energy: -65.023 flat angles C4'-P-C4' energy: -61.555 flat angles P-C4'-P energy: -48.457 tors. eta vs tors. theta energy: -46.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -638.664469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.664469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.664469 (E_RNA) where: Base-Base interactions energy: -365.926 where: short stacking energy: -204.411 Base-Backbone interact. energy: -0.511 local terms energy: -272.227055 where: bonds (distance) C4'-P energy: -64.984 bonds (distance) P-C4' energy: -44.113 flat angles C4'-P-C4' energy: -60.725 flat angles P-C4'-P energy: -45.253 tors. eta vs tors. theta energy: -57.152 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: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -434.383390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.383390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.383390 (E_RNA) where: Base-Base interactions energy: -220.115 where: short stacking energy: -140.420 Base-Backbone interact. energy: 1.484 local terms energy: -215.752538 where: bonds (distance) C4'-P energy: -70.511 bonds (distance) P-C4' energy: -57.082 flat angles C4'-P-C4' energy: -43.625 flat angles P-C4'-P energy: -24.211 tors. eta vs tors. theta energy: -20.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -304.439274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.439274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.439274 (E_RNA) where: Base-Base interactions energy: -118.817 where: short stacking energy: -112.267 Base-Backbone interact. energy: 0.394 local terms energy: -186.016112 where: bonds (distance) C4'-P energy: -37.145 bonds (distance) P-C4' energy: -65.080 flat angles C4'-P-C4' energy: -50.528 flat angles P-C4'-P energy: -26.566 tors. eta vs tors. theta energy: -6.697 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: 457 Temperature: 0.900000 Total energy: -1172.360839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.360839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.360839 (E_RNA) where: Base-Base interactions energy: -798.656 where: short stacking energy: -351.362 Base-Backbone interact. energy: -0.696 local terms energy: -373.008868 where: bonds (distance) C4'-P energy: -60.898 bonds (distance) P-C4' energy: -70.880 flat angles C4'-P-C4' energy: -78.552 flat angles P-C4'-P energy: -56.981 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: 2, replica: 1 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1118.817007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.817007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.817007 (E_RNA) where: Base-Base interactions energy: -760.564 where: short stacking energy: -368.514 Base-Backbone interact. energy: 0.232 local terms energy: -358.484456 where: bonds (distance) C4'-P energy: -71.121 bonds (distance) P-C4' energy: -61.752 flat angles C4'-P-C4' energy: -73.162 flat angles P-C4'-P energy: -52.032 tors. eta vs tors. theta energy: -100.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1094.611108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.611108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.611108 (E_RNA) where: Base-Base interactions energy: -733.697 where: short stacking energy: -363.012 Base-Backbone interact. energy: -0.289 local terms energy: -360.625094 where: bonds (distance) C4'-P energy: -64.815 bonds (distance) P-C4' energy: -67.797 flat angles C4'-P-C4' energy: -67.852 flat angles P-C4'-P energy: -50.031 tors. eta vs tors. theta energy: -110.130 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: 9 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -989.740410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.740410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.740410 (E_RNA) where: Base-Base interactions energy: -667.066 where: short stacking energy: -325.700 Base-Backbone interact. energy: -1.240 local terms energy: -321.434915 where: bonds (distance) C4'-P energy: -63.260 bonds (distance) P-C4' energy: -48.803 flat angles C4'-P-C4' energy: -64.623 flat angles P-C4'-P energy: -52.249 tors. eta vs tors. theta energy: -92.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -994.247772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.247772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.247772 (E_RNA) where: Base-Base interactions energy: -690.433 where: short stacking energy: -322.260 Base-Backbone interact. energy: 4.350 local terms energy: -308.164768 where: bonds (distance) C4'-P energy: -56.700 bonds (distance) P-C4' energy: -63.127 flat angles C4'-P-C4' energy: -61.487 flat angles P-C4'-P energy: -39.357 tors. eta vs tors. theta energy: -87.492 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: 3 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -812.590613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.590613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.590613 (E_RNA) where: Base-Base interactions energy: -514.323 where: short stacking energy: -251.681 Base-Backbone interact. energy: -0.788 local terms energy: -297.479625 where: bonds (distance) C4'-P energy: -63.270 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -66.608 flat angles P-C4'-P energy: -49.330 tors. eta vs tors. theta energy: -55.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -667.787019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.787019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.787019 (E_RNA) where: Base-Base interactions energy: -413.407 where: short stacking energy: -195.999 Base-Backbone interact. energy: -0.059 local terms energy: -254.320656 where: bonds (distance) C4'-P energy: -70.136 bonds (distance) P-C4' energy: -48.438 flat angles C4'-P-C4' energy: -59.893 flat angles P-C4'-P energy: -39.469 tors. eta vs tors. theta energy: -36.385 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: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -633.401948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.401948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.401948 (E_RNA) where: Base-Base interactions energy: -366.262 where: short stacking energy: -181.845 Base-Backbone interact. energy: -0.863 local terms energy: -266.276642 where: bonds (distance) C4'-P energy: -67.854 bonds (distance) P-C4' energy: -70.020 flat angles C4'-P-C4' energy: -59.553 flat angles P-C4'-P energy: -28.403 tors. eta vs tors. theta energy: -40.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -427.981360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.981360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.981360 (E_RNA) where: Base-Base interactions energy: -223.869 where: short stacking energy: -121.434 Base-Backbone interact. energy: 0.399 local terms energy: -204.511969 where: bonds (distance) C4'-P energy: -64.287 bonds (distance) P-C4' energy: -65.834 flat angles C4'-P-C4' energy: -38.757 flat angles P-C4'-P energy: -23.271 tors. eta vs tors. theta energy: -12.362 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: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -292.894845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.894845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.894845 (E_RNA) where: Base-Base interactions energy: -102.033 where: short stacking energy: -98.701 Base-Backbone interact. energy: -0.670 local terms energy: -190.191290 where: bonds (distance) C4'-P energy: -58.336 bonds (distance) P-C4' energy: -63.096 flat angles C4'-P-C4' energy: -53.864 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: 1.064 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: 1, replica: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1199.535836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.535836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.535836 (E_RNA) where: Base-Base interactions energy: -796.311 where: short stacking energy: -369.417 Base-Backbone interact. energy: -1.476 local terms energy: -401.749218 where: bonds (distance) C4'-P energy: -70.348 bonds (distance) P-C4' energy: -72.971 flat angles C4'-P-C4' energy: -80.794 flat angles P-C4'-P energy: -60.520 tors. eta vs tors. theta energy: -117.116 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: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1121.076248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.076248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.076248 (E_RNA) where: Base-Base interactions energy: -747.710 where: short stacking energy: -345.224 Base-Backbone interact. energy: -0.970 local terms energy: -372.396118 where: bonds (distance) C4'-P energy: -65.629 bonds (distance) P-C4' energy: -76.933 flat angles C4'-P-C4' energy: -72.835 flat angles P-C4'-P energy: -60.043 tors. eta vs tors. theta energy: -96.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1083.906772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.906772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.906772 (E_RNA) where: Base-Base interactions energy: -730.310 where: short stacking energy: -340.810 Base-Backbone interact. energy: -0.349 local terms energy: -353.248313 where: bonds (distance) C4'-P energy: -69.851 bonds (distance) P-C4' energy: -62.120 flat angles C4'-P-C4' energy: -72.429 flat angles P-C4'-P energy: -48.035 tors. eta vs tors. theta energy: -100.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -986.831690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.831690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.831690 (E_RNA) where: Base-Base interactions energy: -651.437 where: short stacking energy: -313.321 Base-Backbone interact. energy: -0.845 local terms energy: -334.548973 where: bonds (distance) C4'-P energy: -66.075 bonds (distance) P-C4' energy: -60.019 flat angles C4'-P-C4' energy: -74.768 flat angles P-C4'-P energy: -49.913 tors. eta vs tors. theta energy: -83.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -967.220508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.220508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.220508 (E_RNA) where: Base-Base interactions energy: -653.463 where: short stacking energy: -291.343 Base-Backbone interact. energy: 0.184 local terms energy: -313.942358 where: bonds (distance) C4'-P energy: -49.826 bonds (distance) P-C4' energy: -67.555 flat angles C4'-P-C4' energy: -72.005 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: -77.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -829.596760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.596760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.596760 (E_RNA) where: Base-Base interactions energy: -516.017 where: short stacking energy: -262.085 Base-Backbone interact. energy: -1.039 local terms energy: -312.541121 where: bonds (distance) C4'-P energy: -63.011 bonds (distance) P-C4' energy: -64.202 flat angles C4'-P-C4' energy: -68.157 flat angles P-C4'-P energy: -40.275 tors. eta vs tors. theta energy: -76.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -670.082077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.082077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.082077 (E_RNA) where: Base-Base interactions energy: -408.806 where: short stacking energy: -179.954 Base-Backbone interact. energy: -1.220 local terms energy: -260.056438 where: bonds (distance) C4'-P energy: -65.557 bonds (distance) P-C4' energy: -73.162 flat angles C4'-P-C4' energy: -48.478 flat angles P-C4'-P energy: -44.577 tors. eta vs tors. theta energy: -28.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -648.152436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.152436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.152436 (E_RNA) where: Base-Base interactions energy: -387.582 where: short stacking energy: -206.913 Base-Backbone interact. energy: -0.749 local terms energy: -259.821370 where: bonds (distance) C4'-P energy: -52.231 bonds (distance) P-C4' energy: -58.447 flat angles C4'-P-C4' energy: -71.503 flat angles P-C4'-P energy: -40.120 tors. eta vs tors. theta energy: -37.521 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: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -430.383735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.383735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.383735 (E_RNA) where: Base-Base interactions energy: -231.618 where: short stacking energy: -132.952 Base-Backbone interact. energy: 0.545 local terms energy: -199.310919 where: bonds (distance) C4'-P energy: -54.795 bonds (distance) P-C4' energy: -49.589 flat angles C4'-P-C4' energy: -50.158 flat angles P-C4'-P energy: -24.281 tors. eta vs tors. theta energy: -20.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -282.689594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.689594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.689594 (E_RNA) where: Base-Base interactions energy: -92.886 where: short stacking energy: -86.218 Base-Backbone interact. energy: -1.327 local terms energy: -188.475854 where: bonds (distance) C4'-P energy: -48.620 bonds (distance) P-C4' energy: -66.188 flat angles C4'-P-C4' energy: -55.200 flat angles P-C4'-P energy: -22.389 tors. eta vs tors. theta energy: 3.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1188.050433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.050433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.050433 (E_RNA) where: Base-Base interactions energy: -805.036 where: short stacking energy: -372.624 Base-Backbone interact. energy: -0.123 local terms energy: -382.891008 where: bonds (distance) C4'-P energy: -66.552 bonds (distance) P-C4' energy: -81.168 flat angles C4'-P-C4' energy: -80.112 flat angles P-C4'-P energy: -49.823 tors. eta vs tors. theta energy: -105.236 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: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1126.405635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.405635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.405635 (E_RNA) where: Base-Base interactions energy: -769.533 where: short stacking energy: -357.808 Base-Backbone interact. energy: -0.940 local terms energy: -355.932822 where: bonds (distance) C4'-P energy: -59.276 bonds (distance) P-C4' energy: -73.595 flat angles C4'-P-C4' energy: -69.033 flat angles P-C4'-P energy: -55.292 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: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1061.410078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.410078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.410078 (E_RNA) where: Base-Base interactions energy: -725.375 where: short stacking energy: -345.390 Base-Backbone interact. energy: -1.103 local terms energy: -334.931681 where: bonds (distance) C4'-P energy: -62.978 bonds (distance) P-C4' energy: -58.559 flat angles C4'-P-C4' energy: -75.923 flat angles P-C4'-P energy: -52.401 tors. eta vs tors. theta energy: -85.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1007.808206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.808206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.808206 (E_RNA) where: Base-Base interactions energy: -673.584 where: short stacking energy: -296.652 Base-Backbone interact. energy: -2.282 local terms energy: -331.941867 where: bonds (distance) C4'-P energy: -53.255 bonds (distance) P-C4' energy: -70.072 flat angles C4'-P-C4' energy: -78.246 flat angles P-C4'-P energy: -56.541 tors. eta vs tors. theta energy: -73.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -964.519763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.519763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.519763 (E_RNA) where: Base-Base interactions energy: -638.293 where: short stacking energy: -295.569 Base-Backbone interact. energy: -0.665 local terms energy: -325.562537 where: bonds (distance) C4'-P energy: -57.396 bonds (distance) P-C4' energy: -64.178 flat angles C4'-P-C4' energy: -76.371 flat angles P-C4'-P energy: -47.349 tors. eta vs tors. theta energy: -80.268 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: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -835.415865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.415865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.415865 (E_RNA) where: Base-Base interactions energy: -537.455 where: short stacking energy: -256.196 Base-Backbone interact. energy: 0.976 local terms energy: -298.937014 where: bonds (distance) C4'-P energy: -63.069 bonds (distance) P-C4' energy: -67.948 flat angles C4'-P-C4' energy: -68.665 flat angles P-C4'-P energy: -35.851 tors. eta vs tors. theta energy: -63.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -672.521934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.521934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.521934 (E_RNA) where: Base-Base interactions energy: -419.858 where: short stacking energy: -197.753 Base-Backbone interact. energy: 1.606 local terms energy: -254.269964 where: bonds (distance) C4'-P energy: -57.923 bonds (distance) P-C4' energy: -56.698 flat angles C4'-P-C4' energy: -60.145 flat angles P-C4'-P energy: -37.058 tors. eta vs tors. theta energy: -42.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -655.811291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.811291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.811291 (E_RNA) where: Base-Base interactions energy: -366.337 where: short stacking energy: -199.101 Base-Backbone interact. energy: -1.756 local terms energy: -287.718673 where: bonds (distance) C4'-P energy: -70.367 bonds (distance) P-C4' energy: -59.609 flat angles C4'-P-C4' energy: -64.179 flat angles P-C4'-P energy: -48.293 tors. eta vs tors. theta energy: -45.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -439.936707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.936707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.936707 (E_RNA) where: Base-Base interactions energy: -207.772 where: short stacking energy: -127.159 Base-Backbone interact. energy: -0.168 local terms energy: -231.997060 where: bonds (distance) C4'-P energy: -56.092 bonds (distance) P-C4' energy: -57.969 flat angles C4'-P-C4' energy: -58.223 flat angles P-C4'-P energy: -40.896 tors. eta vs tors. theta energy: -18.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -296.017121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.017121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.017121 (E_RNA) where: Base-Base interactions energy: -110.804 where: short stacking energy: -93.272 Base-Backbone interact. energy: 0.545 local terms energy: -185.758220 where: bonds (distance) C4'-P energy: -43.246 bonds (distance) P-C4' energy: -70.186 flat angles C4'-P-C4' energy: -59.243 flat angles P-C4'-P energy: -25.967 tors. eta vs tors. theta energy: 12.885 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: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1205.361847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.361847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.361847 (E_RNA) where: Base-Base interactions energy: -824.491 where: short stacking energy: -375.244 Base-Backbone interact. energy: -2.080 local terms energy: -378.791285 where: bonds (distance) C4'-P energy: -63.530 bonds (distance) P-C4' energy: -67.911 flat angles C4'-P-C4' energy: -82.048 flat angles P-C4'-P energy: -55.548 tors. eta vs tors. theta energy: -109.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1115.792451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.792451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.792451 (E_RNA) where: Base-Base interactions energy: -757.684 where: short stacking energy: -348.724 Base-Backbone interact. energy: -1.059 local terms energy: -357.049693 where: bonds (distance) C4'-P energy: -51.901 bonds (distance) P-C4' energy: -73.354 flat angles C4'-P-C4' energy: -77.193 flat angles P-C4'-P energy: -52.836 tors. eta vs tors. theta energy: -101.765 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: 5 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1046.311350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.311350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.311350 (E_RNA) where: Base-Base interactions energy: -706.636 where: short stacking energy: -322.826 Base-Backbone interact. energy: 0.992 local terms energy: -340.667458 where: bonds (distance) C4'-P energy: -55.084 bonds (distance) P-C4' energy: -66.144 flat angles C4'-P-C4' energy: -81.073 flat angles P-C4'-P energy: -53.580 tors. eta vs tors. theta energy: -84.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1026.314039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.314039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.314039 (E_RNA) where: Base-Base interactions energy: -675.747 where: short stacking energy: -334.145 Base-Backbone interact. energy: -1.868 local terms energy: -348.699000 where: bonds (distance) C4'-P energy: -68.198 bonds (distance) P-C4' energy: -69.520 flat angles C4'-P-C4' energy: -69.367 flat angles P-C4'-P energy: -49.342 tors. eta vs tors. theta energy: -92.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -943.059009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.059009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.059009 (E_RNA) where: Base-Base interactions energy: -636.908 where: short stacking energy: -295.204 Base-Backbone interact. energy: -1.321 local terms energy: -304.830228 where: bonds (distance) C4'-P energy: -53.846 bonds (distance) P-C4' energy: -56.181 flat angles C4'-P-C4' energy: -69.125 flat angles P-C4'-P energy: -41.707 tors. eta vs tors. theta energy: -83.971 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: 3 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -819.739432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.739432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.739432 (E_RNA) where: Base-Base interactions energy: -541.681 where: short stacking energy: -251.993 Base-Backbone interact. energy: 1.104 local terms energy: -279.162676 where: bonds (distance) C4'-P energy: -55.493 bonds (distance) P-C4' energy: -61.215 flat angles C4'-P-C4' energy: -65.512 flat angles P-C4'-P energy: -44.547 tors. eta vs tors. theta energy: -52.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -754.899278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.899278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.899278 (E_RNA) where: Base-Base interactions energy: -461.643 where: short stacking energy: -229.785 Base-Backbone interact. energy: -1.398 local terms energy: -291.858199 where: bonds (distance) C4'-P energy: -69.410 bonds (distance) P-C4' energy: -53.133 flat angles C4'-P-C4' energy: -65.990 flat angles P-C4'-P energy: -39.879 tors. eta vs tors. theta energy: -63.446 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: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -619.456825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.456825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.456825 (E_RNA) where: Base-Base interactions energy: -354.906 where: short stacking energy: -190.755 Base-Backbone interact. energy: -0.200 local terms energy: -264.351710 where: bonds (distance) C4'-P energy: -53.142 bonds (distance) P-C4' energy: -55.764 flat angles C4'-P-C4' energy: -65.424 flat angles P-C4'-P energy: -37.365 tors. eta vs tors. theta energy: -52.656 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: 460 Temperature: 1.300000 Total energy: -440.461067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.461067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.461067 (E_RNA) where: Base-Base interactions energy: -223.743 where: short stacking energy: -116.803 Base-Backbone interact. energy: -1.183 local terms energy: -215.535291 where: bonds (distance) C4'-P energy: -58.509 bonds (distance) P-C4' energy: -54.202 flat angles C4'-P-C4' energy: -59.533 flat angles P-C4'-P energy: -32.782 tors. eta vs tors. theta energy: -10.509 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: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -325.255715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.255715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.255715 (E_RNA) where: Base-Base interactions energy: -135.946 where: short stacking energy: -98.992 Base-Backbone interact. energy: 1.588 local terms energy: -190.897158 where: bonds (distance) C4'-P energy: -44.742 bonds (distance) P-C4' energy: -63.224 flat angles C4'-P-C4' energy: -47.598 flat angles P-C4'-P energy: -43.708 tors. eta vs tors. theta energy: 8.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1195.837361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.837361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.837361 (E_RNA) where: Base-Base interactions energy: -819.394 where: short stacking energy: -373.543 Base-Backbone interact. energy: -2.199 local terms energy: -374.244728 where: bonds (distance) C4'-P energy: -69.692 bonds (distance) P-C4' energy: -73.685 flat angles C4'-P-C4' energy: -75.004 flat angles P-C4'-P energy: -47.934 tors. eta vs tors. theta energy: -107.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1149.568554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.568554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.568554 (E_RNA) where: Base-Base interactions energy: -765.336 where: short stacking energy: -353.261 Base-Backbone interact. energy: -0.946 local terms energy: -383.286864 where: bonds (distance) C4'-P energy: -71.698 bonds (distance) P-C4' energy: -66.224 flat angles C4'-P-C4' energy: -78.956 flat angles P-C4'-P energy: -55.371 tors. eta vs tors. theta energy: -111.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1065.268414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.268414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.268414 (E_RNA) where: Base-Base interactions energy: -733.193 where: short stacking energy: -334.839 Base-Backbone interact. energy: -1.576 local terms energy: -330.499652 where: bonds (distance) C4'-P energy: -71.261 bonds (distance) P-C4' energy: -51.558 flat angles C4'-P-C4' energy: -72.381 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -88.166 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: 4 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1042.430114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.430114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.430114 (E_RNA) where: Base-Base interactions energy: -671.712 where: short stacking energy: -317.783 Base-Backbone interact. energy: -0.833 local terms energy: -369.885134 where: bonds (distance) C4'-P energy: -73.426 bonds (distance) P-C4' energy: -71.378 flat angles C4'-P-C4' energy: -74.790 flat angles P-C4'-P energy: -53.764 tors. eta vs tors. theta energy: -96.528 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: 9 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -956.962323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.962323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.962323 (E_RNA) where: Base-Base interactions energy: -627.046 where: short stacking energy: -288.264 Base-Backbone interact. energy: -1.928 local terms energy: -327.988271 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -57.394 flat angles C4'-P-C4' energy: -78.964 flat angles P-C4'-P energy: -51.934 tors. eta vs tors. theta energy: -79.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -879.786066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.786066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.786066 (E_RNA) where: Base-Base interactions energy: -581.947 where: short stacking energy: -262.236 Base-Backbone interact. energy: -0.980 local terms energy: -296.859601 where: bonds (distance) C4'-P energy: -54.474 bonds (distance) P-C4' energy: -63.767 flat angles C4'-P-C4' energy: -65.414 flat angles P-C4'-P energy: -40.077 tors. eta vs tors. theta energy: -73.127 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: 2 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -756.588935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.588935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.588935 (E_RNA) where: Base-Base interactions energy: -474.760 where: short stacking energy: -226.974 Base-Backbone interact. energy: -0.755 local terms energy: -281.074009 where: bonds (distance) C4'-P energy: -69.390 bonds (distance) P-C4' energy: -62.788 flat angles C4'-P-C4' energy: -51.772 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -55.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -609.457632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.457632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.457632 (E_RNA) where: Base-Base interactions energy: -337.136 where: short stacking energy: -177.837 Base-Backbone interact. energy: -1.365 local terms energy: -270.956128 where: bonds (distance) C4'-P energy: -67.259 bonds (distance) P-C4' energy: -53.576 flat angles C4'-P-C4' energy: -67.424 flat angles P-C4'-P energy: -36.249 tors. eta vs tors. theta energy: -46.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -414.918928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.918928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.918928 (E_RNA) where: Base-Base interactions energy: -224.716 where: short stacking energy: -137.397 Base-Backbone interact. energy: 0.080 local terms energy: -190.282809 where: bonds (distance) C4'-P energy: -55.717 bonds (distance) P-C4' energy: -53.458 flat angles C4'-P-C4' energy: -51.560 flat angles P-C4'-P energy: -22.531 tors. eta vs tors. theta energy: -7.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -303.055276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.055276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.055276 (E_RNA) where: Base-Base interactions energy: -115.262 where: short stacking energy: -72.480 Base-Backbone interact. energy: 3.888 local terms energy: -191.681543 where: bonds (distance) C4'-P energy: -61.108 bonds (distance) P-C4' energy: -58.662 flat angles C4'-P-C4' energy: -48.429 flat angles P-C4'-P energy: -26.554 tors. eta vs tors. theta energy: 3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1175.063008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.063008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.063008 (E_RNA) where: Base-Base interactions energy: -785.850 where: short stacking energy: -363.474 Base-Backbone interact. energy: -1.879 local terms energy: -387.333979 where: bonds (distance) C4'-P energy: -69.219 bonds (distance) P-C4' energy: -73.516 flat angles C4'-P-C4' energy: -80.126 flat angles P-C4'-P energy: -50.799 tors. eta vs tors. theta energy: -113.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1162.646832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.646832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.646832 (E_RNA) where: Base-Base interactions energy: -791.926 where: short stacking energy: -370.201 Base-Backbone interact. energy: 2.584 local terms energy: -373.304421 where: bonds (distance) C4'-P energy: -67.639 bonds (distance) P-C4' energy: -67.390 flat angles C4'-P-C4' energy: -74.013 flat angles P-C4'-P energy: -56.201 tors. eta vs tors. theta energy: -108.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1067.823070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.823070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.823070 (E_RNA) where: Base-Base interactions energy: -725.236 where: short stacking energy: -334.316 Base-Backbone interact. energy: 1.876 local terms energy: -344.463443 where: bonds (distance) C4'-P energy: -75.129 bonds (distance) P-C4' energy: -62.990 flat angles C4'-P-C4' energy: -70.565 flat angles P-C4'-P energy: -48.647 tors. eta vs tors. theta energy: -87.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1031.487991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.487991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.487991 (E_RNA) where: Base-Base interactions energy: -677.665 where: short stacking energy: -304.177 Base-Backbone interact. energy: -1.252 local terms energy: -352.570899 where: bonds (distance) C4'-P energy: -64.860 bonds (distance) P-C4' energy: -68.642 flat angles C4'-P-C4' energy: -76.419 flat angles P-C4'-P energy: -51.614 tors. eta vs tors. theta energy: -91.037 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: 9 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -946.956988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.956988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.956988 (E_RNA) where: Base-Base interactions energy: -636.029 where: short stacking energy: -300.272 Base-Backbone interact. energy: -1.511 local terms energy: -309.417068 where: bonds (distance) C4'-P energy: -50.789 bonds (distance) P-C4' energy: -68.230 flat angles C4'-P-C4' energy: -64.106 flat angles P-C4'-P energy: -52.170 tors. eta vs tors. theta energy: -74.122 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: 3 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -917.105104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.105104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.105104 (E_RNA) where: Base-Base interactions energy: -594.914 where: short stacking energy: -289.885 Base-Backbone interact. energy: -0.878 local terms energy: -321.312382 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -60.589 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -43.309 tors. eta vs tors. theta energy: -78.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -648.468381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.468381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.468381 (E_RNA) where: Base-Base interactions energy: -373.960 where: short stacking energy: -217.413 Base-Backbone interact. energy: -0.503 local terms energy: -274.005132 where: bonds (distance) C4'-P energy: -61.440 bonds (distance) P-C4' energy: -67.643 flat angles C4'-P-C4' energy: -60.984 flat angles P-C4'-P energy: -27.778 tors. eta vs tors. theta energy: -56.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -679.488294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.488294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.488294 (E_RNA) where: Base-Base interactions energy: -447.695 where: short stacking energy: -191.012 Base-Backbone interact. energy: -0.442 local terms energy: -231.351952 where: bonds (distance) C4'-P energy: -40.054 bonds (distance) P-C4' energy: -61.675 flat angles C4'-P-C4' energy: -55.719 flat angles P-C4'-P energy: -34.896 tors. eta vs tors. theta energy: -39.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -430.389298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.389298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.389298 (E_RNA) where: Base-Base interactions energy: -253.952 where: short stacking energy: -160.901 Base-Backbone interact. energy: -2.902 local terms energy: -173.535546 where: bonds (distance) C4'-P energy: -25.834 bonds (distance) P-C4' energy: -46.801 flat angles C4'-P-C4' energy: -55.111 flat angles P-C4'-P energy: -30.749 tors. eta vs tors. theta energy: -15.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -288.769234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.769234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.769234 (E_RNA) where: Base-Base interactions energy: -87.770 where: short stacking energy: -68.732 Base-Backbone interact. energy: 0.321 local terms energy: -201.319718 where: bonds (distance) C4'-P energy: -51.679 bonds (distance) P-C4' energy: -60.507 flat angles C4'-P-C4' energy: -65.149 flat angles P-C4'-P energy: -34.392 tors. eta vs tors. theta energy: 10.407 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: 463 Temperature: 0.900000 Total energy: -1166.328996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.328996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.328996 (E_RNA) where: Base-Base interactions energy: -788.407 where: short stacking energy: -374.353 Base-Backbone interact. energy: -1.213 local terms energy: -376.708808 where: bonds (distance) C4'-P energy: -65.090 bonds (distance) P-C4' energy: -68.929 flat angles C4'-P-C4' energy: -80.543 flat angles P-C4'-P energy: -55.482 tors. eta vs tors. theta energy: -106.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1146.745301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.745301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.745301 (E_RNA) where: Base-Base interactions energy: -774.293 where: short stacking energy: -373.716 Base-Backbone interact. energy: -0.077 local terms energy: -372.374786 where: bonds (distance) C4'-P energy: -57.374 bonds (distance) P-C4' energy: -75.268 flat angles C4'-P-C4' energy: -75.031 flat angles P-C4'-P energy: -58.732 tors. eta vs tors. theta energy: -105.969 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: 5 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1073.703480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.703480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.703480 (E_RNA) where: Base-Base interactions energy: -730.194 where: short stacking energy: -327.266 Base-Backbone interact. energy: 0.412 local terms energy: -343.921764 where: bonds (distance) C4'-P energy: -62.323 bonds (distance) P-C4' energy: -71.405 flat angles C4'-P-C4' energy: -67.470 flat angles P-C4'-P energy: -52.831 tors. eta vs tors. theta energy: -89.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1053.592686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.592686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.592686 (E_RNA) where: Base-Base interactions energy: -699.157 where: short stacking energy: -336.536 Base-Backbone interact. energy: 0.671 local terms energy: -355.105902 where: bonds (distance) C4'-P energy: -57.661 bonds (distance) P-C4' energy: -64.637 flat angles C4'-P-C4' energy: -75.663 flat angles P-C4'-P energy: -54.443 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: 5, replica: 9 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -952.633678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.633678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.633678 (E_RNA) where: Base-Base interactions energy: -620.383 where: short stacking energy: -300.738 Base-Backbone interact. energy: -0.216 local terms energy: -332.034828 where: bonds (distance) C4'-P energy: -63.022 bonds (distance) P-C4' energy: -63.529 flat angles C4'-P-C4' energy: -76.589 flat angles P-C4'-P energy: -42.509 tors. eta vs tors. theta energy: -86.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -897.039200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.039200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.039200 (E_RNA) where: Base-Base interactions energy: -579.811 where: short stacking energy: -278.278 Base-Backbone interact. energy: 0.372 local terms energy: -317.599636 where: bonds (distance) C4'-P energy: -54.731 bonds (distance) P-C4' energy: -72.481 flat angles C4'-P-C4' energy: -63.941 flat angles P-C4'-P energy: -46.299 tors. eta vs tors. theta energy: -80.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -661.378509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.378509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.378509 (E_RNA) where: Base-Base interactions energy: -402.283 where: short stacking energy: -205.038 Base-Backbone interact. energy: -1.242 local terms energy: -257.853692 where: bonds (distance) C4'-P energy: -62.036 bonds (distance) P-C4' energy: -53.736 flat angles C4'-P-C4' energy: -54.679 flat angles P-C4'-P energy: -34.669 tors. eta vs tors. theta energy: -52.734 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: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -695.846814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.846814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.846814 (E_RNA) where: Base-Base interactions energy: -436.798 where: short stacking energy: -196.545 Base-Backbone interact. energy: 0.545 local terms energy: -259.593297 where: bonds (distance) C4'-P energy: -48.629 bonds (distance) P-C4' energy: -60.047 flat angles C4'-P-C4' energy: -71.797 flat angles P-C4'-P energy: -38.413 tors. eta vs tors. theta energy: -40.708 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: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -436.951655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.951655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.951655 (E_RNA) where: Base-Base interactions energy: -222.420 where: short stacking energy: -123.757 Base-Backbone interact. energy: -0.155 local terms energy: -214.377371 where: bonds (distance) C4'-P energy: -63.500 bonds (distance) P-C4' energy: -55.299 flat angles C4'-P-C4' energy: -57.530 flat angles P-C4'-P energy: -25.577 tors. eta vs tors. theta energy: -12.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -295.623785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.623785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.623785 (E_RNA) where: Base-Base interactions energy: -102.973 where: short stacking energy: -81.883 Base-Backbone interact. energy: -0.966 local terms energy: -191.684190 where: bonds (distance) C4'-P energy: -54.924 bonds (distance) P-C4' energy: -59.894 flat angles C4'-P-C4' energy: -48.127 flat angles P-C4'-P energy: -34.284 tors. eta vs tors. theta energy: 5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1158.194207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.194207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.194207 (E_RNA) where: Base-Base interactions energy: -783.089 where: short stacking energy: -366.135 Base-Backbone interact. energy: -3.056 local terms energy: -372.049117 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -73.719 flat angles C4'-P-C4' energy: -84.798 flat angles P-C4'-P energy: -43.738 tors. eta vs tors. theta energy: -101.276 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: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1139.403379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.403379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.403379 (E_RNA) where: Base-Base interactions energy: -760.891 where: short stacking energy: -359.537 Base-Backbone interact. energy: -0.388 local terms energy: -378.124834 where: bonds (distance) C4'-P energy: -67.393 bonds (distance) P-C4' energy: -69.420 flat angles C4'-P-C4' energy: -81.627 flat angles P-C4'-P energy: -56.243 tors. eta vs tors. theta energy: -103.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1094.145286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.145286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.145286 (E_RNA) where: Base-Base interactions energy: -744.905 where: short stacking energy: -349.200 Base-Backbone interact. energy: -2.073 local terms energy: -347.167792 where: bonds (distance) C4'-P energy: -67.381 bonds (distance) P-C4' energy: -71.541 flat angles C4'-P-C4' energy: -62.457 flat angles P-C4'-P energy: -47.711 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: 4, replica: 5 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1013.029194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.029194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.029194 (E_RNA) where: Base-Base interactions energy: -695.115 where: short stacking energy: -304.389 Base-Backbone interact. energy: -0.542 local terms energy: -317.372359 where: bonds (distance) C4'-P energy: -61.204 bonds (distance) P-C4' energy: -68.994 flat angles C4'-P-C4' energy: -66.202 flat angles P-C4'-P energy: -44.659 tors. eta vs tors. theta energy: -76.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -954.460134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.460134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.460134 (E_RNA) where: Base-Base interactions energy: -612.250 where: short stacking energy: -284.124 Base-Backbone interact. energy: -0.989 local terms energy: -341.221538 where: bonds (distance) C4'-P energy: -65.830 bonds (distance) P-C4' energy: -75.159 flat angles C4'-P-C4' energy: -68.925 flat angles P-C4'-P energy: -52.679 tors. eta vs tors. theta energy: -78.628 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: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -878.089528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.089528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.089528 (E_RNA) where: Base-Base interactions energy: -566.485 where: short stacking energy: -281.762 Base-Backbone interact. energy: -0.812 local terms energy: -310.792442 where: bonds (distance) C4'-P energy: -72.671 bonds (distance) P-C4' energy: -55.940 flat angles C4'-P-C4' energy: -67.367 flat angles P-C4'-P energy: -43.918 tors. eta vs tors. theta energy: -70.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -677.997068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.997068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.997068 (E_RNA) where: Base-Base interactions energy: -422.346 where: short stacking energy: -183.054 Base-Backbone interact. energy: -1.668 local terms energy: -253.983915 where: bonds (distance) C4'-P energy: -55.113 bonds (distance) P-C4' energy: -68.757 flat angles C4'-P-C4' energy: -58.900 flat angles P-C4'-P energy: -43.487 tors. eta vs tors. theta energy: -27.727 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: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -634.638297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.638297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.638297 (E_RNA) where: Base-Base interactions energy: -384.704 where: short stacking energy: -176.589 Base-Backbone interact. energy: -1.206 local terms energy: -248.728546 where: bonds (distance) C4'-P energy: -58.831 bonds (distance) P-C4' energy: -63.369 flat angles C4'-P-C4' energy: -62.118 flat angles P-C4'-P energy: -31.086 tors. eta vs tors. theta energy: -33.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -416.732883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.732883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.732883 (E_RNA) where: Base-Base interactions energy: -215.332 where: short stacking energy: -102.272 Base-Backbone interact. energy: -1.162 local terms energy: -200.238623 where: bonds (distance) C4'-P energy: -57.552 bonds (distance) P-C4' energy: -54.990 flat angles C4'-P-C4' energy: -55.132 flat angles P-C4'-P energy: -40.751 tors. eta vs tors. theta energy: 8.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -301.884150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.884150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.884150 (E_RNA) where: Base-Base interactions energy: -121.831 where: short stacking energy: -99.703 Base-Backbone interact. energy: -0.890 local terms energy: -179.162552 where: bonds (distance) C4'-P energy: -43.596 bonds (distance) P-C4' energy: -50.541 flat angles C4'-P-C4' energy: -52.781 flat angles P-C4'-P energy: -35.905 tors. eta vs tors. theta energy: 3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1175.074832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.074832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.074832 (E_RNA) where: Base-Base interactions energy: -803.940 where: short stacking energy: -360.820 Base-Backbone interact. energy: -2.002 local terms energy: -369.132982 where: bonds (distance) C4'-P energy: -73.031 bonds (distance) P-C4' energy: -66.288 flat angles C4'-P-C4' energy: -77.362 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -105.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1127.324408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.324408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.324408 (E_RNA) where: Base-Base interactions energy: -750.973 where: short stacking energy: -351.367 Base-Backbone interact. energy: -0.438 local terms energy: -375.913631 where: bonds (distance) C4'-P energy: -66.476 bonds (distance) P-C4' energy: -70.977 flat angles C4'-P-C4' energy: -73.859 flat angles P-C4'-P energy: -56.146 tors. eta vs tors. theta energy: -108.455 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: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1043.077037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.077037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.077037 (E_RNA) where: Base-Base interactions energy: -694.029 where: short stacking energy: -312.324 Base-Backbone interact. energy: -0.351 local terms energy: -348.697615 where: bonds (distance) C4'-P energy: -63.399 bonds (distance) P-C4' energy: -66.956 flat angles C4'-P-C4' energy: -71.121 flat angles P-C4'-P energy: -46.404 tors. eta vs tors. theta energy: -100.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -995.410495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.410495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.410495 (E_RNA) where: Base-Base interactions energy: -661.431 where: short stacking energy: -304.912 Base-Backbone interact. energy: -1.960 local terms energy: -332.019628 where: bonds (distance) C4'-P energy: -68.827 bonds (distance) P-C4' energy: -59.066 flat angles C4'-P-C4' energy: -72.413 flat angles P-C4'-P energy: -51.144 tors. eta vs tors. theta energy: -80.569 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: 9 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -958.098602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.098602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.098602 (E_RNA) where: Base-Base interactions energy: -628.680 where: short stacking energy: -301.302 Base-Backbone interact. energy: -1.178 local terms energy: -328.240860 where: bonds (distance) C4'-P energy: -63.741 bonds (distance) P-C4' energy: -68.528 flat angles C4'-P-C4' energy: -69.934 flat angles P-C4'-P energy: -51.903 tors. eta vs tors. theta energy: -74.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -864.958966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.958966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.958966 (E_RNA) where: Base-Base interactions energy: -547.239 where: short stacking energy: -275.545 Base-Backbone interact. energy: -0.742 local terms energy: -316.978345 where: bonds (distance) C4'-P energy: -60.569 bonds (distance) P-C4' energy: -63.366 flat angles C4'-P-C4' energy: -75.741 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -72.709 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: 465 Temperature: 1.200000 Total energy: -657.817916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.817916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.817916 (E_RNA) where: Base-Base interactions energy: -400.249 where: short stacking energy: -192.720 Base-Backbone interact. energy: -1.088 local terms energy: -256.480731 where: bonds (distance) C4'-P energy: -59.967 bonds (distance) P-C4' energy: -62.012 flat angles C4'-P-C4' energy: -62.810 flat angles P-C4'-P energy: -39.040 tors. eta vs tors. theta energy: -32.651 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: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -622.942277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.942277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.942277 (E_RNA) where: Base-Base interactions energy: -360.811 where: short stacking energy: -196.255 Base-Backbone interact. energy: -1.191 local terms energy: -260.939522 where: bonds (distance) C4'-P energy: -56.102 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -49.570 flat angles P-C4'-P energy: -47.734 tors. eta vs tors. theta energy: -46.750 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: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -363.863232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.863232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.863232 (E_RNA) where: Base-Base interactions energy: -159.777 where: short stacking energy: -105.436 Base-Backbone interact. energy: -0.874 local terms energy: -203.212836 where: bonds (distance) C4'-P energy: -59.689 bonds (distance) P-C4' energy: -58.955 flat angles C4'-P-C4' energy: -59.137 flat angles P-C4'-P energy: -30.301 tors. eta vs tors. theta energy: 4.868 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: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -282.970039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.970039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.970039 (E_RNA) where: Base-Base interactions energy: -94.705 where: short stacking energy: -83.627 Base-Backbone interact. energy: -0.913 local terms energy: -187.352052 where: bonds (distance) C4'-P energy: -46.221 bonds (distance) P-C4' energy: -75.429 flat angles C4'-P-C4' energy: -27.584 flat angles P-C4'-P energy: -30.195 tors. eta vs tors. theta energy: -7.922 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: 1, replica: 8 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1185.152127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.152127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.152127 (E_RNA) where: Base-Base interactions energy: -809.135 where: short stacking energy: -375.927 Base-Backbone interact. energy: -1.643 local terms energy: -374.374036 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -70.223 flat angles C4'-P-C4' energy: -80.718 flat angles P-C4'-P energy: -47.531 tors. eta vs tors. theta energy: -109.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1150.702885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.702885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.702885 (E_RNA) where: Base-Base interactions energy: -782.982 where: short stacking energy: -370.530 Base-Backbone interact. energy: -1.119 local terms energy: -366.601666 where: bonds (distance) C4'-P energy: -61.104 bonds (distance) P-C4' energy: -69.934 flat angles C4'-P-C4' energy: -71.485 flat angles P-C4'-P energy: -58.382 tors. eta vs tors. theta energy: -105.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1030.586955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.586955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.586955 (E_RNA) where: Base-Base interactions energy: -687.376 where: short stacking energy: -331.605 Base-Backbone interact. energy: -0.740 local terms energy: -342.470917 where: bonds (distance) C4'-P energy: -60.563 bonds (distance) P-C4' energy: -69.394 flat angles C4'-P-C4' energy: -77.841 flat angles P-C4'-P energy: -42.438 tors. eta vs tors. theta energy: -92.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1026.639579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.639579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.639579 (E_RNA) where: Base-Base interactions energy: -691.870 where: short stacking energy: -314.803 Base-Backbone interact. energy: -0.420 local terms energy: -334.350460 where: bonds (distance) C4'-P energy: -62.334 bonds (distance) P-C4' energy: -68.756 flat angles C4'-P-C4' energy: -76.912 flat angles P-C4'-P energy: -47.852 tors. eta vs tors. theta energy: -78.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -958.693875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.693875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.693875 (E_RNA) where: Base-Base interactions energy: -628.319 where: short stacking energy: -297.339 Base-Backbone interact. energy: -1.052 local terms energy: -329.323565 where: bonds (distance) C4'-P energy: -70.806 bonds (distance) P-C4' energy: -60.700 flat angles C4'-P-C4' energy: -70.999 flat angles P-C4'-P energy: -48.711 tors. eta vs tors. theta energy: -78.107 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: 6, replica: 3 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -860.705732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.705732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.705732 (E_RNA) where: Base-Base interactions energy: -547.532 where: short stacking energy: -267.386 Base-Backbone interact. energy: -1.583 local terms energy: -311.590875 where: bonds (distance) C4'-P energy: -55.931 bonds (distance) P-C4' energy: -64.022 flat angles C4'-P-C4' energy: -67.197 flat angles P-C4'-P energy: -45.002 tors. eta vs tors. theta energy: -79.439 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: 6 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -641.803207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.803207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.803207 (E_RNA) where: Base-Base interactions energy: -367.975 where: short stacking energy: -213.426 Base-Backbone interact. energy: -0.527 local terms energy: -273.300415 where: bonds (distance) C4'-P energy: -51.070 bonds (distance) P-C4' energy: -57.094 flat angles C4'-P-C4' energy: -65.758 flat angles P-C4'-P energy: -50.727 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: 8, replica: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -570.548479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.548479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.548479 (E_RNA) where: Base-Base interactions energy: -320.929 where: short stacking energy: -177.372 Base-Backbone interact. energy: -0.614 local terms energy: -249.004533 where: bonds (distance) C4'-P energy: -39.916 bonds (distance) P-C4' energy: -54.399 flat angles C4'-P-C4' energy: -57.571 flat angles P-C4'-P energy: -49.102 tors. eta vs tors. theta energy: -48.016 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: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -389.836792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.836792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.836792 (E_RNA) where: Base-Base interactions energy: -181.113 where: short stacking energy: -106.293 Base-Backbone interact. energy: 0.924 local terms energy: -209.647798 where: bonds (distance) C4'-P energy: -39.955 bonds (distance) P-C4' energy: -80.795 flat angles C4'-P-C4' energy: -50.914 flat angles P-C4'-P energy: -35.988 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -282.780405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.780405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.780405 (E_RNA) where: Base-Base interactions energy: -91.071 where: short stacking energy: -65.017 Base-Backbone interact. energy: -1.799 local terms energy: -189.910193 where: bonds (distance) C4'-P energy: -62.009 bonds (distance) P-C4' energy: -63.564 flat angles C4'-P-C4' energy: -41.500 flat angles P-C4'-P energy: -35.341 tors. eta vs tors. theta energy: 12.504 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: 8 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1188.438071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.438071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.438071 (E_RNA) where: Base-Base interactions energy: -796.025 where: short stacking energy: -375.912 Base-Backbone interact. energy: -0.991 local terms energy: -391.422207 where: bonds (distance) C4'-P energy: -70.709 bonds (distance) P-C4' energy: -68.746 flat angles C4'-P-C4' energy: -80.128 flat angles P-C4'-P energy: -58.315 tors. eta vs tors. theta energy: -113.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1156.431583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.431583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.431583 (E_RNA) where: Base-Base interactions energy: -770.542 where: short stacking energy: -376.681 Base-Backbone interact. energy: -2.133 local terms energy: -383.757030 where: bonds (distance) C4'-P energy: -69.579 bonds (distance) P-C4' energy: -68.190 flat angles C4'-P-C4' energy: -77.397 flat angles P-C4'-P energy: -55.002 tors. eta vs tors. theta energy: -113.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1031.745321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.745321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.745321 (E_RNA) where: Base-Base interactions energy: -684.329 where: short stacking energy: -301.759 Base-Backbone interact. energy: -1.259 local terms energy: -346.156845 where: bonds (distance) C4'-P energy: -63.979 bonds (distance) P-C4' energy: -70.069 flat angles C4'-P-C4' energy: -67.019 flat angles P-C4'-P energy: -52.933 tors. eta vs tors. theta energy: -92.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -980.511459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.511459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.511459 (E_RNA) where: Base-Base interactions energy: -659.288 where: short stacking energy: -276.419 Base-Backbone interact. energy: 0.063 local terms energy: -321.286610 where: bonds (distance) C4'-P energy: -69.540 bonds (distance) P-C4' energy: -68.249 flat angles C4'-P-C4' energy: -74.103 flat angles P-C4'-P energy: -41.083 tors. eta vs tors. theta energy: -68.312 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: 5, replica: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -972.074049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.074049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.074049 (E_RNA) where: Base-Base interactions energy: -620.034 where: short stacking energy: -303.554 Base-Backbone interact. energy: 0.771 local terms energy: -352.810873 where: bonds (distance) C4'-P energy: -67.297 bonds (distance) P-C4' energy: -72.817 flat angles C4'-P-C4' energy: -68.199 flat angles P-C4'-P energy: -54.289 tors. eta vs tors. theta energy: -90.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -829.733435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.733435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.733435 (E_RNA) where: Base-Base interactions energy: -532.426 where: short stacking energy: -252.068 Base-Backbone interact. energy: -2.516 local terms energy: -294.792247 where: bonds (distance) C4'-P energy: -65.701 bonds (distance) P-C4' energy: -61.312 flat angles C4'-P-C4' energy: -70.867 flat angles P-C4'-P energy: -39.967 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: 7, replica: 6 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -650.707586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.707586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.707586 (E_RNA) where: Base-Base interactions energy: -375.629 where: short stacking energy: -207.468 Base-Backbone interact. energy: -0.921 local terms energy: -274.157698 where: bonds (distance) C4'-P energy: -53.865 bonds (distance) P-C4' energy: -60.977 flat angles C4'-P-C4' energy: -66.124 flat angles P-C4'-P energy: -37.560 tors. eta vs tors. theta energy: -55.631 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: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -572.874817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.874817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.874817 (E_RNA) where: Base-Base interactions energy: -310.698 where: short stacking energy: -158.181 Base-Backbone interact. energy: 0.071 local terms energy: -262.248025 where: bonds (distance) C4'-P energy: -59.046 bonds (distance) P-C4' energy: -68.197 flat angles C4'-P-C4' energy: -67.101 flat angles P-C4'-P energy: -39.571 tors. eta vs tors. theta energy: -28.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -382.106222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.106222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.106222 (E_RNA) where: Base-Base interactions energy: -186.712 where: short stacking energy: -120.019 Base-Backbone interact. energy: 4.343 local terms energy: -199.737740 where: bonds (distance) C4'-P energy: -57.203 bonds (distance) P-C4' energy: -67.714 flat angles C4'-P-C4' energy: -42.449 flat angles P-C4'-P energy: -28.340 tors. eta vs tors. theta energy: -4.032 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: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -277.732588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.732588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.732588 (E_RNA) where: Base-Base interactions energy: -95.712 where: short stacking energy: -79.185 Base-Backbone interact. energy: -1.919 local terms energy: -180.101522 where: bonds (distance) C4'-P energy: -51.308 bonds (distance) P-C4' energy: -59.002 flat angles C4'-P-C4' energy: -42.978 flat angles P-C4'-P energy: -31.287 tors. eta vs tors. theta energy: 4.473 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: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1169.173933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.173933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.173933 (E_RNA) where: Base-Base interactions energy: -792.054 where: short stacking energy: -377.779 Base-Backbone interact. energy: 2.503 local terms energy: -379.622000 where: bonds (distance) C4'-P energy: -66.686 bonds (distance) P-C4' energy: -80.484 flat angles C4'-P-C4' energy: -75.584 flat angles P-C4'-P energy: -47.882 tors. eta vs tors. theta energy: -108.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1149.861050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.861050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.861050 (E_RNA) where: Base-Base interactions energy: -776.594 where: short stacking energy: -371.692 Base-Backbone interact. energy: 1.301 local terms energy: -374.567920 where: bonds (distance) C4'-P energy: -71.338 bonds (distance) P-C4' energy: -66.194 flat angles C4'-P-C4' energy: -80.289 flat angles P-C4'-P energy: -49.003 tors. eta vs tors. theta energy: -107.744 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: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1049.744770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.744770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.744770 (E_RNA) where: Base-Base interactions energy: -715.904 where: short stacking energy: -305.184 Base-Backbone interact. energy: 0.208 local terms energy: -334.048601 where: bonds (distance) C4'-P energy: -59.167 bonds (distance) P-C4' energy: -70.722 flat angles C4'-P-C4' energy: -71.111 flat angles P-C4'-P energy: -45.785 tors. eta vs tors. theta energy: -87.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -984.730661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.730661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.730661 (E_RNA) where: Base-Base interactions energy: -651.825 where: short stacking energy: -298.684 Base-Backbone interact. energy: -1.501 local terms energy: -331.405104 where: bonds (distance) C4'-P energy: -57.386 bonds (distance) P-C4' energy: -75.691 flat angles C4'-P-C4' energy: -69.670 flat angles P-C4'-P energy: -49.125 tors. eta vs tors. theta energy: -79.532 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: 468 Temperature: 1.100000 Total energy: -987.373686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.373686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.373686 (E_RNA) where: Base-Base interactions energy: -654.395 where: short stacking energy: -323.883 Base-Backbone interact. energy: -0.760 local terms energy: -332.219609 where: bonds (distance) C4'-P energy: -51.967 bonds (distance) P-C4' energy: -61.582 flat angles C4'-P-C4' energy: -69.810 flat angles P-C4'-P energy: -57.029 tors. eta vs tors. theta energy: -91.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -836.507929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.507929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.507929 (E_RNA) where: Base-Base interactions energy: -535.918 where: short stacking energy: -257.064 Base-Backbone interact. energy: -0.280 local terms energy: -300.309905 where: bonds (distance) C4'-P energy: -55.396 bonds (distance) P-C4' energy: -54.824 flat angles C4'-P-C4' energy: -68.249 flat angles P-C4'-P energy: -48.756 tors. eta vs tors. theta energy: -73.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -646.687427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.687427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.687427 (E_RNA) where: Base-Base interactions energy: -387.797 where: short stacking energy: -205.527 Base-Backbone interact. energy: -2.691 local terms energy: -256.199561 where: bonds (distance) C4'-P energy: -53.793 bonds (distance) P-C4' energy: -70.976 flat angles C4'-P-C4' energy: -72.088 flat angles P-C4'-P energy: -24.568 tors. eta vs tors. theta energy: -34.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -588.433811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.433811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.433811 (E_RNA) where: Base-Base interactions energy: -338.854 where: short stacking energy: -184.223 Base-Backbone interact. energy: -0.375 local terms energy: -249.204655 where: bonds (distance) C4'-P energy: -55.441 bonds (distance) P-C4' energy: -61.089 flat angles C4'-P-C4' energy: -58.621 flat angles P-C4'-P energy: -33.351 tors. eta vs tors. theta energy: -40.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -383.499607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.499607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.499607 (E_RNA) where: Base-Base interactions energy: -189.549 where: short stacking energy: -128.762 Base-Backbone interact. energy: -0.976 local terms energy: -192.974077 where: bonds (distance) C4'-P energy: -46.217 bonds (distance) P-C4' energy: -56.418 flat angles C4'-P-C4' energy: -51.538 flat angles P-C4'-P energy: -26.773 tors. eta vs tors. theta energy: -12.029 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: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -276.112158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.112158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.112158 (E_RNA) where: Base-Base interactions energy: -88.997 where: short stacking energy: -72.771 Base-Backbone interact. energy: -1.577 local terms energy: -185.538601 where: bonds (distance) C4'-P energy: -48.288 bonds (distance) P-C4' energy: -59.536 flat angles C4'-P-C4' energy: -44.329 flat angles P-C4'-P energy: -36.061 tors. eta vs tors. theta energy: 2.675 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: 469 Temperature: 0.900000 Total energy: -1153.333323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.333323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.333323 (E_RNA) where: Base-Base interactions energy: -778.545 where: short stacking energy: -365.854 Base-Backbone interact. energy: 0.099 local terms energy: -374.887232 where: bonds (distance) C4'-P energy: -68.480 bonds (distance) P-C4' energy: -70.996 flat angles C4'-P-C4' energy: -74.260 flat angles P-C4'-P energy: -49.616 tors. eta vs tors. theta energy: -111.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1146.752496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.752496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.752496 (E_RNA) where: Base-Base interactions energy: -763.813 where: short stacking energy: -361.387 Base-Backbone interact. energy: -2.516 local terms energy: -380.423597 where: bonds (distance) C4'-P energy: -72.533 bonds (distance) P-C4' energy: -74.726 flat angles C4'-P-C4' energy: -70.803 flat angles P-C4'-P energy: -52.888 tors. eta vs tors. theta energy: -109.474 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: 469 Temperature: 1.000000 Total energy: -1043.088652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.088652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.088652 (E_RNA) where: Base-Base interactions energy: -697.948 where: short stacking energy: -317.140 Base-Backbone interact. energy: -0.759 local terms energy: -344.382284 where: bonds (distance) C4'-P energy: -50.528 bonds (distance) P-C4' energy: -66.874 flat angles C4'-P-C4' energy: -82.137 flat angles P-C4'-P energy: -56.831 tors. eta vs tors. theta energy: -88.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1021.404924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.404924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.404924 (E_RNA) where: Base-Base interactions energy: -678.951 where: short stacking energy: -306.826 Base-Backbone interact. energy: 0.255 local terms energy: -342.708511 where: bonds (distance) C4'-P energy: -69.551 bonds (distance) P-C4' energy: -67.881 flat angles C4'-P-C4' energy: -73.778 flat angles P-C4'-P energy: -41.689 tors. eta vs tors. theta energy: -89.810 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: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -995.132206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.132206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.132206 (E_RNA) where: Base-Base interactions energy: -658.370 where: short stacking energy: -306.404 Base-Backbone interact. energy: 3.017 local terms energy: -339.779579 where: bonds (distance) C4'-P energy: -68.248 bonds (distance) P-C4' energy: -69.240 flat angles C4'-P-C4' energy: -72.501 flat angles P-C4'-P energy: -44.960 tors. eta vs tors. theta energy: -84.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -794.142661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.142661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.142661 (E_RNA) where: Base-Base interactions energy: -499.821 where: short stacking energy: -229.705 Base-Backbone interact. energy: -0.936 local terms energy: -293.385453 where: bonds (distance) C4'-P energy: -60.644 bonds (distance) P-C4' energy: -57.538 flat angles C4'-P-C4' energy: -67.128 flat angles P-C4'-P energy: -46.218 tors. eta vs tors. theta energy: -61.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -658.121431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.121431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.121431 (E_RNA) where: Base-Base interactions energy: -386.274 where: short stacking energy: -209.945 Base-Backbone interact. energy: 0.395 local terms energy: -272.241867 where: bonds (distance) C4'-P energy: -58.624 bonds (distance) P-C4' energy: -63.048 flat angles C4'-P-C4' energy: -60.233 flat angles P-C4'-P energy: -34.419 tors. eta vs tors. theta energy: -55.919 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: 6 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -594.149946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.149946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.149946 (E_RNA) where: Base-Base interactions energy: -350.131 where: short stacking energy: -201.479 Base-Backbone interact. energy: -0.854 local terms energy: -243.164846 where: bonds (distance) C4'-P energy: -56.471 bonds (distance) P-C4' energy: -62.912 flat angles C4'-P-C4' energy: -59.501 flat angles P-C4'-P energy: -29.590 tors. eta vs tors. theta energy: -34.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -369.449194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.449194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.449194 (E_RNA) where: Base-Base interactions energy: -159.811 where: short stacking energy: -96.923 Base-Backbone interact. energy: 0.283 local terms energy: -209.921658 where: bonds (distance) C4'-P energy: -58.171 bonds (distance) P-C4' energy: -55.190 flat angles C4'-P-C4' energy: -56.335 flat angles P-C4'-P energy: -44.789 tors. eta vs tors. theta energy: 4.563 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: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -297.148413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.148413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.148413 (E_RNA) where: Base-Base interactions energy: -98.131 where: short stacking energy: -94.800 Base-Backbone interact. energy: -1.160 local terms energy: -197.857416 where: bonds (distance) C4'-P energy: -50.990 bonds (distance) P-C4' energy: -55.865 flat angles C4'-P-C4' energy: -62.548 flat angles P-C4'-P energy: -30.525 tors. eta vs tors. theta energy: 2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1161.307743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.307743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.307743 (E_RNA) where: Base-Base interactions energy: -771.614 where: short stacking energy: -372.207 Base-Backbone interact. energy: -0.956 local terms energy: -388.737734 where: bonds (distance) C4'-P energy: -69.791 bonds (distance) P-C4' energy: -72.121 flat angles C4'-P-C4' energy: -81.607 flat angles P-C4'-P energy: -56.224 tors. eta vs tors. theta energy: -108.995 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: 2, replica: 8 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1149.792687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.792687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.792687 (E_RNA) where: Base-Base interactions energy: -773.506 where: short stacking energy: -352.719 Base-Backbone interact. energy: -0.464 local terms energy: -375.822999 where: bonds (distance) C4'-P energy: -64.962 bonds (distance) P-C4' energy: -66.312 flat angles C4'-P-C4' energy: -80.026 flat angles P-C4'-P energy: -54.135 tors. eta vs tors. theta energy: -110.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1022.642009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.642009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.642009 (E_RNA) where: Base-Base interactions energy: -678.497 where: short stacking energy: -327.796 Base-Backbone interact. energy: -0.484 local terms energy: -343.660650 where: bonds (distance) C4'-P energy: -68.626 bonds (distance) P-C4' energy: -63.655 flat angles C4'-P-C4' energy: -74.833 flat angles P-C4'-P energy: -44.604 tors. eta vs tors. theta energy: -91.943 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: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1020.760724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.760724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.760724 (E_RNA) where: Base-Base interactions energy: -676.337 where: short stacking energy: -278.133 Base-Backbone interact. energy: -3.003 local terms energy: -341.420833 where: bonds (distance) C4'-P energy: -63.688 bonds (distance) P-C4' energy: -74.980 flat angles C4'-P-C4' energy: -75.610 flat angles P-C4'-P energy: -51.868 tors. eta vs tors. theta energy: -75.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -967.259383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.259383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.259383 (E_RNA) where: Base-Base interactions energy: -640.357 where: short stacking energy: -297.057 Base-Backbone interact. energy: -1.054 local terms energy: -325.849208 where: bonds (distance) C4'-P energy: -62.768 bonds (distance) P-C4' energy: -67.907 flat angles C4'-P-C4' energy: -61.292 flat angles P-C4'-P energy: -62.105 tors. eta vs tors. theta energy: -71.777 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: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -838.383138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.383138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.383138 (E_RNA) where: Base-Base interactions energy: -542.061 where: short stacking energy: -253.401 Base-Backbone interact. energy: -0.330 local terms energy: -295.991896 where: bonds (distance) C4'-P energy: -63.091 bonds (distance) P-C4' energy: -73.459 flat angles C4'-P-C4' energy: -66.587 flat angles P-C4'-P energy: -29.552 tors. eta vs tors. theta energy: -63.303 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: 6 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -645.929121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.929121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.929121 (E_RNA) where: Base-Base interactions energy: -376.976 where: short stacking energy: -232.614 Base-Backbone interact. energy: 1.590 local terms energy: -270.543236 where: bonds (distance) C4'-P energy: -52.948 bonds (distance) P-C4' energy: -60.475 flat angles C4'-P-C4' energy: -67.457 flat angles P-C4'-P energy: -37.737 tors. eta vs tors. theta energy: -51.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -681.831983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.831983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.831983 (E_RNA) where: Base-Base interactions energy: -419.129 where: short stacking energy: -214.547 Base-Backbone interact. energy: 1.609 local terms energy: -264.311371 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -56.760 flat angles C4'-P-C4' energy: -70.008 flat angles P-C4'-P energy: -36.452 tors. eta vs tors. theta energy: -46.453 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: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -409.677552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.677552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.677552 (E_RNA) where: Base-Base interactions energy: -204.522 where: short stacking energy: -104.712 Base-Backbone interact. energy: -2.106 local terms energy: -203.049720 where: bonds (distance) C4'-P energy: -51.495 bonds (distance) P-C4' energy: -61.174 flat angles C4'-P-C4' energy: -57.659 flat angles P-C4'-P energy: -29.190 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -304.696693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.696693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.696693 (E_RNA) where: Base-Base interactions energy: -109.632 where: short stacking energy: -96.181 Base-Backbone interact. energy: 4.299 local terms energy: -199.364052 where: bonds (distance) C4'-P energy: -46.804 bonds (distance) P-C4' energy: -62.632 flat angles C4'-P-C4' energy: -44.512 flat angles P-C4'-P energy: -40.768 tors. eta vs tors. theta energy: -4.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1175.361338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.361338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.361338 (E_RNA) where: Base-Base interactions energy: -783.948 where: short stacking energy: -385.872 Base-Backbone interact. energy: -1.160 local terms energy: -390.253972 where: bonds (distance) C4'-P energy: -74.124 bonds (distance) P-C4' energy: -62.268 flat angles C4'-P-C4' energy: -81.914 flat angles P-C4'-P energy: -60.527 tors. eta vs tors. theta energy: -111.421 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: 8 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1152.704403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.704403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.704403 (E_RNA) where: Base-Base interactions energy: -773.280 where: short stacking energy: -350.664 Base-Backbone interact. energy: -1.622 local terms energy: -377.803225 where: bonds (distance) C4'-P energy: -65.106 bonds (distance) P-C4' energy: -71.436 flat angles C4'-P-C4' energy: -83.435 flat angles P-C4'-P energy: -48.580 tors. eta vs tors. theta energy: -109.246 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: 4 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1043.401933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.401933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.401933 (E_RNA) where: Base-Base interactions energy: -701.867 where: short stacking energy: -329.109 Base-Backbone interact. energy: -0.340 local terms energy: -341.195029 where: bonds (distance) C4'-P energy: -52.184 bonds (distance) P-C4' energy: -66.391 flat angles C4'-P-C4' energy: -80.052 flat angles P-C4'-P energy: -43.617 tors. eta vs tors. theta energy: -98.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1011.600810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.600810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.600810 (E_RNA) where: Base-Base interactions energy: -687.288 where: short stacking energy: -294.745 Base-Backbone interact. energy: -1.242 local terms energy: -323.070653 where: bonds (distance) C4'-P energy: -59.015 bonds (distance) P-C4' energy: -57.075 flat angles C4'-P-C4' energy: -71.876 flat angles P-C4'-P energy: -50.802 tors. eta vs tors. theta energy: -84.303 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: 5, replica: 9 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -975.983847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.983847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.983847 (E_RNA) where: Base-Base interactions energy: -653.741 where: short stacking energy: -285.206 Base-Backbone interact. energy: -1.730 local terms energy: -320.512996 where: bonds (distance) C4'-P energy: -60.783 bonds (distance) P-C4' energy: -72.445 flat angles C4'-P-C4' energy: -71.863 flat angles P-C4'-P energy: -44.378 tors. eta vs tors. theta energy: -71.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -802.360145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.360145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.360145 (E_RNA) where: Base-Base interactions energy: -531.055 where: short stacking energy: -240.035 Base-Backbone interact. energy: 0.808 local terms energy: -272.112610 where: bonds (distance) C4'-P energy: -49.825 bonds (distance) P-C4' energy: -72.236 flat angles C4'-P-C4' energy: -60.177 flat angles P-C4'-P energy: -42.568 tors. eta vs tors. theta energy: -47.306 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: 6 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -649.763294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.763294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.763294 (E_RNA) where: Base-Base interactions energy: -374.718 where: short stacking energy: -196.312 Base-Backbone interact. energy: -1.359 local terms energy: -273.687169 where: bonds (distance) C4'-P energy: -67.610 bonds (distance) P-C4' energy: -56.682 flat angles C4'-P-C4' energy: -57.297 flat angles P-C4'-P energy: -48.578 tors. eta vs tors. theta energy: -43.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -720.493094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.493094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.493094 (E_RNA) where: Base-Base interactions energy: -452.764 where: short stacking energy: -209.542 Base-Backbone interact. energy: -3.805 local terms energy: -263.924079 where: bonds (distance) C4'-P energy: -50.902 bonds (distance) P-C4' energy: -62.381 flat angles C4'-P-C4' energy: -63.790 flat angles P-C4'-P energy: -28.360 tors. eta vs tors. theta energy: -58.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -459.734544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.734544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.734544 (E_RNA) where: Base-Base interactions energy: -243.850 where: short stacking energy: -117.764 Base-Backbone interact. energy: -0.845 local terms energy: -215.039814 where: bonds (distance) C4'-P energy: -63.909 bonds (distance) P-C4' energy: -60.917 flat angles C4'-P-C4' energy: -57.949 flat angles P-C4'-P energy: -26.630 tors. eta vs tors. theta energy: -5.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -315.250015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.250015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.250015 (E_RNA) where: Base-Base interactions energy: -101.233 where: short stacking energy: -88.883 Base-Backbone interact. energy: 5.048 local terms energy: -219.065109 where: bonds (distance) C4'-P energy: -61.066 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -50.726 flat angles P-C4'-P energy: -33.271 tors. eta vs tors. theta energy: -4.248 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: 472 Temperature: 0.900000 Total energy: -1158.986283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.986283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.986283 (E_RNA) where: Base-Base interactions energy: -779.765 where: short stacking energy: -349.840 Base-Backbone interact. energy: 0.205 local terms energy: -379.425956 where: bonds (distance) C4'-P energy: -65.343 bonds (distance) P-C4' energy: -68.769 flat angles C4'-P-C4' energy: -79.951 flat angles P-C4'-P energy: -56.166 tors. eta vs tors. theta energy: -109.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1139.968832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.968832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.968832 (E_RNA) where: Base-Base interactions energy: -760.095 where: short stacking energy: -365.920 Base-Backbone interact. energy: -0.694 local terms energy: -379.179825 where: bonds (distance) C4'-P energy: -71.115 bonds (distance) P-C4' energy: -75.420 flat angles C4'-P-C4' energy: -74.463 flat angles P-C4'-P energy: -45.921 tors. eta vs tors. theta energy: -112.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1050.766033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.766033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.766033 (E_RNA) where: Base-Base interactions energy: -681.947 where: short stacking energy: -334.750 Base-Backbone interact. energy: 0.484 local terms energy: -369.302961 where: bonds (distance) C4'-P energy: -69.767 bonds (distance) P-C4' energy: -72.617 flat angles C4'-P-C4' energy: -76.739 flat angles P-C4'-P energy: -53.151 tors. eta vs tors. theta energy: -97.029 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: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -996.763902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.763902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.763902 (E_RNA) where: Base-Base interactions energy: -683.722 where: short stacking energy: -299.429 Base-Backbone interact. energy: -1.848 local terms energy: -311.194468 where: bonds (distance) C4'-P energy: -63.780 bonds (distance) P-C4' energy: -50.810 flat angles C4'-P-C4' energy: -69.002 flat angles P-C4'-P energy: -52.479 tors. eta vs tors. theta energy: -75.125 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: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -974.067518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.067518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.067518 (E_RNA) where: Base-Base interactions energy: -656.092 where: short stacking energy: -294.803 Base-Backbone interact. energy: -0.596 local terms energy: -317.378875 where: bonds (distance) C4'-P energy: -63.597 bonds (distance) P-C4' energy: -59.097 flat angles C4'-P-C4' energy: -69.188 flat angles P-C4'-P energy: -44.576 tors. eta vs tors. theta energy: -80.920 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: 3 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -833.026920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.026920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.026920 (E_RNA) where: Base-Base interactions energy: -538.743 where: short stacking energy: -239.184 Base-Backbone interact. energy: 2.622 local terms energy: -296.905408 where: bonds (distance) C4'-P energy: -78.510 bonds (distance) P-C4' energy: -65.061 flat angles C4'-P-C4' energy: -57.864 flat angles P-C4'-P energy: -37.901 tors. eta vs tors. theta energy: -57.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -659.122373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.122373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.122373 (E_RNA) where: Base-Base interactions energy: -390.638 where: short stacking energy: -183.685 Base-Backbone interact. energy: -0.787 local terms energy: -267.697064 where: bonds (distance) C4'-P energy: -59.225 bonds (distance) P-C4' energy: -62.115 flat angles C4'-P-C4' energy: -68.037 flat angles P-C4'-P energy: -45.453 tors. eta vs tors. theta energy: -32.868 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: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -708.006444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.006444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.006444 (E_RNA) where: Base-Base interactions energy: -408.197 where: short stacking energy: -195.987 Base-Backbone interact. energy: -1.274 local terms energy: -298.535262 where: bonds (distance) C4'-P energy: -71.199 bonds (distance) P-C4' energy: -61.190 flat angles C4'-P-C4' energy: -58.409 flat angles P-C4'-P energy: -48.846 tors. eta vs tors. theta energy: -58.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -421.086098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.086098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.086098 (E_RNA) where: Base-Base interactions energy: -199.407 where: short stacking energy: -126.333 Base-Backbone interact. energy: -0.753 local terms energy: -220.926397 where: bonds (distance) C4'-P energy: -54.601 bonds (distance) P-C4' energy: -61.466 flat angles C4'-P-C4' energy: -63.318 flat angles P-C4'-P energy: -27.599 tors. eta vs tors. theta energy: -13.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -276.204483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.204483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.204483 (E_RNA) where: Base-Base interactions energy: -89.695 where: short stacking energy: -78.264 Base-Backbone interact. energy: 0.363 local terms energy: -186.872124 where: bonds (distance) C4'-P energy: -52.419 bonds (distance) P-C4' energy: -56.842 flat angles C4'-P-C4' energy: -51.534 flat angles P-C4'-P energy: -28.365 tors. eta vs tors. theta energy: 2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1166.157068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.157068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.157068 (E_RNA) where: Base-Base interactions energy: -787.390 where: short stacking energy: -360.476 Base-Backbone interact. energy: -0.762 local terms energy: -378.005197 where: bonds (distance) C4'-P energy: -70.886 bonds (distance) P-C4' energy: -78.480 flat angles C4'-P-C4' energy: -73.043 flat angles P-C4'-P energy: -45.966 tors. eta vs tors. theta energy: -109.631 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: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1133.968748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.968748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.968748 (E_RNA) where: Base-Base interactions energy: -759.840 where: short stacking energy: -350.459 Base-Backbone interact. energy: -0.155 local terms energy: -373.974157 where: bonds (distance) C4'-P energy: -64.380 bonds (distance) P-C4' energy: -73.301 flat angles C4'-P-C4' energy: -76.981 flat angles P-C4'-P energy: -58.344 tors. eta vs tors. theta energy: -100.968 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: 4 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1064.321198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.321198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.321198 (E_RNA) where: Base-Base interactions energy: -711.103 where: short stacking energy: -342.140 Base-Backbone interact. energy: -1.238 local terms energy: -351.979989 where: bonds (distance) C4'-P energy: -66.535 bonds (distance) P-C4' energy: -67.236 flat angles C4'-P-C4' energy: -75.478 flat angles P-C4'-P energy: -45.066 tors. eta vs tors. theta energy: -97.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1026.265506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.265506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.265506 (E_RNA) where: Base-Base interactions energy: -661.145 where: short stacking energy: -338.722 Base-Backbone interact. energy: -0.392 local terms energy: -364.727954 where: bonds (distance) C4'-P energy: -59.991 bonds (distance) P-C4' energy: -70.461 flat angles C4'-P-C4' energy: -73.029 flat angles P-C4'-P energy: -58.779 tors. eta vs tors. theta energy: -102.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -991.473351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.473351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.473351 (E_RNA) where: Base-Base interactions energy: -684.553 where: short stacking energy: -315.317 Base-Backbone interact. energy: -2.413 local terms energy: -304.506884 where: bonds (distance) C4'-P energy: -65.366 bonds (distance) P-C4' energy: -59.740 flat angles C4'-P-C4' energy: -66.522 flat angles P-C4'-P energy: -31.677 tors. eta vs tors. theta energy: -81.201 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: 3 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -854.282217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.282217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.282217 (E_RNA) where: Base-Base interactions energy: -577.820 where: short stacking energy: -265.516 Base-Backbone interact. energy: 0.073 local terms energy: -276.535656 where: bonds (distance) C4'-P energy: -49.929 bonds (distance) P-C4' energy: -61.029 flat angles C4'-P-C4' energy: -61.406 flat angles P-C4'-P energy: -38.074 tors. eta vs tors. theta energy: -66.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -643.735986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.735986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.735986 (E_RNA) where: Base-Base interactions energy: -378.788 where: short stacking energy: -197.241 Base-Backbone interact. energy: -1.161 local terms energy: -263.787174 where: bonds (distance) C4'-P energy: -55.728 bonds (distance) P-C4' energy: -55.257 flat angles C4'-P-C4' energy: -63.909 flat angles P-C4'-P energy: -41.522 tors. eta vs tors. theta energy: -47.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -694.788080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.788080 (E_RNA) where: Base-Base interactions energy: -440.115 where: short stacking energy: -198.465 Base-Backbone interact. energy: 0.107 local terms energy: -254.780025 where: bonds (distance) C4'-P energy: -62.961 bonds (distance) P-C4' energy: -62.406 flat angles C4'-P-C4' energy: -56.898 flat angles P-C4'-P energy: -38.119 tors. eta vs tors. theta energy: -34.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -374.624383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.624383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.624383 (E_RNA) where: Base-Base interactions energy: -176.945 where: short stacking energy: -105.017 Base-Backbone interact. energy: -0.358 local terms energy: -197.321788 where: bonds (distance) C4'-P energy: -54.520 bonds (distance) P-C4' energy: -63.113 flat angles C4'-P-C4' energy: -38.098 flat angles P-C4'-P energy: -35.580 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: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -286.201523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.201523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.201523 (E_RNA) where: Base-Base interactions energy: -124.580 where: short stacking energy: -88.160 Base-Backbone interact. energy: -1.284 local terms energy: -160.337538 where: bonds (distance) C4'-P energy: -55.704 bonds (distance) P-C4' energy: -57.813 flat angles C4'-P-C4' energy: -36.087 flat angles P-C4'-P energy: -17.562 tors. eta vs tors. theta energy: 6.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1183.017341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.017341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.017341 (E_RNA) where: Base-Base interactions energy: -787.411 where: short stacking energy: -376.142 Base-Backbone interact. energy: -1.113 local terms energy: -394.493450 where: bonds (distance) C4'-P energy: -68.730 bonds (distance) P-C4' energy: -72.387 flat angles C4'-P-C4' energy: -83.442 flat angles P-C4'-P energy: -53.355 tors. eta vs tors. theta energy: -116.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1145.155704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.155704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.155704 (E_RNA) where: Base-Base interactions energy: -760.746 where: short stacking energy: -372.931 Base-Backbone interact. energy: 0.184 local terms energy: -384.593763 where: bonds (distance) C4'-P energy: -66.440 bonds (distance) P-C4' energy: -70.233 flat angles C4'-P-C4' energy: -86.760 flat angles P-C4'-P energy: -54.013 tors. eta vs tors. theta energy: -107.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1059.540835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.540835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.540835 (E_RNA) where: Base-Base interactions energy: -725.079 where: short stacking energy: -325.468 Base-Backbone interact. energy: -1.308 local terms energy: -333.153963 where: bonds (distance) C4'-P energy: -55.449 bonds (distance) P-C4' energy: -66.430 flat angles C4'-P-C4' energy: -76.327 flat angles P-C4'-P energy: -44.077 tors. eta vs tors. theta energy: -90.870 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: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -967.360865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.360865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.360865 (E_RNA) where: Base-Base interactions energy: -625.784 where: short stacking energy: -305.429 Base-Backbone interact. energy: -0.979 local terms energy: -340.598213 where: bonds (distance) C4'-P energy: -69.101 bonds (distance) P-C4' energy: -70.151 flat angles C4'-P-C4' energy: -75.483 flat angles P-C4'-P energy: -42.281 tors. eta vs tors. theta energy: -83.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -921.193800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.193800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.193800 (E_RNA) where: Base-Base interactions energy: -625.681 where: short stacking energy: -269.731 Base-Backbone interact. energy: 0.136 local terms energy: -295.649239 where: bonds (distance) C4'-P energy: -60.144 bonds (distance) P-C4' energy: -58.810 flat angles C4'-P-C4' energy: -65.401 flat angles P-C4'-P energy: -42.701 tors. eta vs tors. theta energy: -68.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -845.158702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.158702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.158702 (E_RNA) where: Base-Base interactions energy: -555.836 where: short stacking energy: -236.506 Base-Backbone interact. energy: -1.034 local terms energy: -288.289415 where: bonds (distance) C4'-P energy: -42.190 bonds (distance) P-C4' energy: -63.750 flat angles C4'-P-C4' energy: -60.802 flat angles P-C4'-P energy: -53.806 tors. eta vs tors. theta energy: -67.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -713.506394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.506394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.506394 (E_RNA) where: Base-Base interactions energy: -425.975 where: short stacking energy: -223.397 Base-Backbone interact. energy: 0.852 local terms energy: -288.382840 where: bonds (distance) C4'-P energy: -65.222 bonds (distance) P-C4' energy: -63.694 flat angles C4'-P-C4' energy: -67.421 flat angles P-C4'-P energy: -41.850 tors. eta vs tors. theta energy: -50.195 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: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -623.203479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.203479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.203479 (E_RNA) where: Base-Base interactions energy: -365.903 where: short stacking energy: -207.422 Base-Backbone interact. energy: -0.566 local terms energy: -256.734557 where: bonds (distance) C4'-P energy: -60.005 bonds (distance) P-C4' energy: -55.182 flat angles C4'-P-C4' energy: -61.441 flat angles P-C4'-P energy: -32.536 tors. eta vs tors. theta energy: -47.572 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: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -357.886678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.886678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.886678 (E_RNA) where: Base-Base interactions energy: -143.474 where: short stacking energy: -102.761 Base-Backbone interact. energy: -1.165 local terms energy: -213.248202 where: bonds (distance) C4'-P energy: -59.454 bonds (distance) P-C4' energy: -68.365 flat angles C4'-P-C4' energy: -50.717 flat angles P-C4'-P energy: -32.281 tors. eta vs tors. theta energy: -2.431 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: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -295.141689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.141689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.141689 (E_RNA) where: Base-Base interactions energy: -101.578 where: short stacking energy: -96.795 Base-Backbone interact. energy: -0.244 local terms energy: -193.319364 where: bonds (distance) C4'-P energy: -50.034 bonds (distance) P-C4' energy: -60.980 flat angles C4'-P-C4' energy: -57.912 flat angles P-C4'-P energy: -27.372 tors. eta vs tors. theta energy: 2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1178.653646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.653646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.653646 (E_RNA) where: Base-Base interactions energy: -794.159 where: short stacking energy: -391.090 Base-Backbone interact. energy: -1.398 local terms energy: -383.097020 where: bonds (distance) C4'-P energy: -68.630 bonds (distance) P-C4' energy: -67.078 flat angles C4'-P-C4' energy: -82.067 flat angles P-C4'-P energy: -49.416 tors. eta vs tors. theta energy: -115.907 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: 1 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1142.382578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.382578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.382578 (E_RNA) where: Base-Base interactions energy: -768.929 where: short stacking energy: -383.714 Base-Backbone interact. energy: -0.280 local terms energy: -373.174067 where: bonds (distance) C4'-P energy: -64.993 bonds (distance) P-C4' energy: -66.992 flat angles C4'-P-C4' energy: -80.886 flat angles P-C4'-P energy: -48.473 tors. eta vs tors. theta energy: -111.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1062.050686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.050686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.050686 (E_RNA) where: Base-Base interactions energy: -703.094 where: short stacking energy: -339.052 Base-Backbone interact. energy: -1.169 local terms energy: -357.786912 where: bonds (distance) C4'-P energy: -72.015 bonds (distance) P-C4' energy: -65.595 flat angles C4'-P-C4' energy: -74.240 flat angles P-C4'-P energy: -44.865 tors. eta vs tors. theta energy: -101.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1001.940147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.940147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.940147 (E_RNA) where: Base-Base interactions energy: -655.295 where: short stacking energy: -312.104 Base-Backbone interact. energy: 0.583 local terms energy: -347.228431 where: bonds (distance) C4'-P energy: -59.512 bonds (distance) P-C4' energy: -70.330 flat angles C4'-P-C4' energy: -77.610 flat angles P-C4'-P energy: -49.459 tors. eta vs tors. theta energy: -90.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -890.059568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.059568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.059568 (E_RNA) where: Base-Base interactions energy: -603.731 where: short stacking energy: -265.109 Base-Backbone interact. energy: 0.003 local terms energy: -286.332016 where: bonds (distance) C4'-P energy: -52.831 bonds (distance) P-C4' energy: -63.339 flat angles C4'-P-C4' energy: -70.890 flat angles P-C4'-P energy: -32.113 tors. eta vs tors. theta energy: -67.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -852.587759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.587759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.587759 (E_RNA) where: Base-Base interactions energy: -559.994 where: short stacking energy: -246.776 Base-Backbone interact. energy: -0.930 local terms energy: -291.663830 where: bonds (distance) C4'-P energy: -68.842 bonds (distance) P-C4' energy: -63.650 flat angles C4'-P-C4' energy: -63.704 flat angles P-C4'-P energy: -33.479 tors. eta vs tors. theta energy: -61.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -720.754539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.754539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.754539 (E_RNA) where: Base-Base interactions energy: -431.432 where: short stacking energy: -227.384 Base-Backbone interact. energy: -0.567 local terms energy: -288.754716 where: bonds (distance) C4'-P energy: -62.001 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -69.669 flat angles P-C4'-P energy: -41.426 tors. eta vs tors. theta energy: -54.312 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: 8, replica: 6 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -604.083849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.083849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.083849 (E_RNA) where: Base-Base interactions energy: -345.593 where: short stacking energy: -173.387 Base-Backbone interact. energy: 0.612 local terms energy: -259.103109 where: bonds (distance) C4'-P energy: -50.716 bonds (distance) P-C4' energy: -63.629 flat angles C4'-P-C4' energy: -61.593 flat angles P-C4'-P energy: -39.035 tors. eta vs tors. theta energy: -44.130 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: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -292.062859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.062859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.062859 (E_RNA) where: Base-Base interactions energy: -73.951 where: short stacking energy: -74.551 Base-Backbone interact. energy: -1.460 local terms energy: -216.651410 where: bonds (distance) C4'-P energy: -68.748 bonds (distance) P-C4' energy: -47.135 flat angles C4'-P-C4' energy: -65.294 flat angles P-C4'-P energy: -35.235 tors. eta vs tors. theta energy: -0.240 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: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -291.639239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.639239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.639239 (E_RNA) where: Base-Base interactions energy: -121.702 where: short stacking energy: -85.068 Base-Backbone interact. energy: -0.277 local terms energy: -169.660602 where: bonds (distance) C4'-P energy: -60.265 bonds (distance) P-C4' energy: -60.570 flat angles C4'-P-C4' energy: -47.235 flat angles P-C4'-P energy: -15.366 tors. eta vs tors. theta energy: 13.775 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: 1 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1181.668517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.668517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.668517 (E_RNA) where: Base-Base interactions energy: -789.989 where: short stacking energy: -377.787 Base-Backbone interact. energy: -1.560 local terms energy: -390.119611 where: bonds (distance) C4'-P energy: -72.725 bonds (distance) P-C4' energy: -68.829 flat angles C4'-P-C4' energy: -82.962 flat angles P-C4'-P energy: -48.376 tors. eta vs tors. theta energy: -117.228 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: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1155.079872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.079872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.079872 (E_RNA) where: Base-Base interactions energy: -783.777 where: short stacking energy: -374.925 Base-Backbone interact. energy: -1.023 local terms energy: -370.279834 where: bonds (distance) C4'-P energy: -63.168 bonds (distance) P-C4' energy: -64.270 flat angles C4'-P-C4' energy: -76.515 flat angles P-C4'-P energy: -55.938 tors. eta vs tors. theta energy: -110.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1058.266298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.266298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.266298 (E_RNA) where: Base-Base interactions energy: -695.986 where: short stacking energy: -330.005 Base-Backbone interact. energy: 0.019 local terms energy: -362.299458 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -75.119 flat angles C4'-P-C4' energy: -75.648 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -99.065 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: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -977.777445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.777445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.777445 (E_RNA) where: Base-Base interactions energy: -654.698 where: short stacking energy: -315.127 Base-Backbone interact. energy: -0.718 local terms energy: -322.361153 where: bonds (distance) C4'-P energy: -60.697 bonds (distance) P-C4' energy: -52.004 flat angles C4'-P-C4' energy: -65.426 flat angles P-C4'-P energy: -50.750 tors. eta vs tors. theta energy: -93.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -895.550851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.550851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.550851 (E_RNA) where: Base-Base interactions energy: -600.525 where: short stacking energy: -275.820 Base-Backbone interact. energy: -1.394 local terms energy: -293.631099 where: bonds (distance) C4'-P energy: -62.689 bonds (distance) P-C4' energy: -50.634 flat angles C4'-P-C4' energy: -64.217 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -73.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -907.002021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.002021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.002021 (E_RNA) where: Base-Base interactions energy: -612.814 where: short stacking energy: -275.487 Base-Backbone interact. energy: 1.485 local terms energy: -295.673444 where: bonds (distance) C4'-P energy: -60.562 bonds (distance) P-C4' energy: -58.962 flat angles C4'-P-C4' energy: -67.955 flat angles P-C4'-P energy: -41.106 tors. eta vs tors. theta energy: -67.088 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: 7, replica: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -731.113189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.113189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.113189 (E_RNA) where: Base-Base interactions energy: -453.193 where: short stacking energy: -216.137 Base-Backbone interact. energy: -1.498 local terms energy: -276.421765 where: bonds (distance) C4'-P energy: -48.770 bonds (distance) P-C4' energy: -60.244 flat angles C4'-P-C4' energy: -65.187 flat angles P-C4'-P energy: -45.684 tors. eta vs tors. theta energy: -56.536 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: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -610.990622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.990622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.990622 (E_RNA) where: Base-Base interactions energy: -361.402 where: short stacking energy: -184.956 Base-Backbone interact. energy: -2.392 local terms energy: -247.196902 where: bonds (distance) C4'-P energy: -65.583 bonds (distance) P-C4' energy: -63.201 flat angles C4'-P-C4' energy: -57.551 flat angles P-C4'-P energy: -29.254 tors. eta vs tors. theta energy: -31.609 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: 7 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -335.557665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.557665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.557665 (E_RNA) where: Base-Base interactions energy: -131.143 where: short stacking energy: -101.998 Base-Backbone interact. energy: -2.028 local terms energy: -202.386485 where: bonds (distance) C4'-P energy: -57.315 bonds (distance) P-C4' energy: -63.233 flat angles C4'-P-C4' energy: -45.251 flat angles P-C4'-P energy: -33.295 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -288.568560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.568560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.568560 (E_RNA) where: Base-Base interactions energy: -106.969 where: short stacking energy: -86.532 Base-Backbone interact. energy: 1.603 local terms energy: -183.202050 where: bonds (distance) C4'-P energy: -56.882 bonds (distance) P-C4' energy: -57.160 flat angles C4'-P-C4' energy: -45.184 flat angles P-C4'-P energy: -29.652 tors. eta vs tors. theta energy: 5.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1190.780915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.780915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.780915 (E_RNA) where: Base-Base interactions energy: -788.644 where: short stacking energy: -378.517 Base-Backbone interact. energy: -1.954 local terms energy: -400.182983 where: bonds (distance) C4'-P energy: -68.767 bonds (distance) P-C4' energy: -76.608 flat angles C4'-P-C4' energy: -86.330 flat angles P-C4'-P energy: -54.126 tors. eta vs tors. theta energy: -114.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1152.613241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.613241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.613241 (E_RNA) where: Base-Base interactions energy: -781.829 where: short stacking energy: -372.875 Base-Backbone interact. energy: -0.665 local terms energy: -370.119503 where: bonds (distance) C4'-P energy: -60.309 bonds (distance) P-C4' energy: -68.232 flat angles C4'-P-C4' energy: -80.094 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: -109.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1074.453773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.453773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.453773 (E_RNA) where: Base-Base interactions energy: -718.364 where: short stacking energy: -343.786 Base-Backbone interact. energy: -1.040 local terms energy: -355.049782 where: bonds (distance) C4'-P energy: -67.817 bonds (distance) P-C4' energy: -60.596 flat angles C4'-P-C4' energy: -79.696 flat angles P-C4'-P energy: -45.054 tors. eta vs tors. theta energy: -101.887 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: 9 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -976.492235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.492235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.492235 (E_RNA) where: Base-Base interactions energy: -636.802 where: short stacking energy: -298.502 Base-Backbone interact. energy: 0.142 local terms energy: -339.831576 where: bonds (distance) C4'-P energy: -61.369 bonds (distance) P-C4' energy: -71.144 flat angles C4'-P-C4' energy: -68.608 flat angles P-C4'-P energy: -55.699 tors. eta vs tors. theta energy: -83.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -913.047196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.047196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.047196 (E_RNA) where: Base-Base interactions energy: -580.434 where: short stacking energy: -292.264 Base-Backbone interact. energy: -1.213 local terms energy: -331.400490 where: bonds (distance) C4'-P energy: -56.156 bonds (distance) P-C4' energy: -70.320 flat angles C4'-P-C4' energy: -75.422 flat angles P-C4'-P energy: -46.599 tors. eta vs tors. theta energy: -82.903 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: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -863.167403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.167403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.167403 (E_RNA) where: Base-Base interactions energy: -572.900 where: short stacking energy: -261.727 Base-Backbone interact. energy: -0.508 local terms energy: -289.758992 where: bonds (distance) C4'-P energy: -57.806 bonds (distance) P-C4' energy: -56.398 flat angles C4'-P-C4' energy: -64.014 flat angles P-C4'-P energy: -47.787 tors. eta vs tors. theta energy: -63.753 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: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -702.678958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.678958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.678958 (E_RNA) where: Base-Base interactions energy: -426.562 where: short stacking energy: -213.105 Base-Backbone interact. energy: -0.614 local terms energy: -275.502698 where: bonds (distance) C4'-P energy: -47.985 bonds (distance) P-C4' energy: -60.014 flat angles C4'-P-C4' energy: -71.761 flat angles P-C4'-P energy: -37.462 tors. eta vs tors. theta energy: -58.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -604.764213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.764213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.764213 (E_RNA) where: Base-Base interactions energy: -346.404 where: short stacking energy: -179.271 Base-Backbone interact. energy: 0.050 local terms energy: -258.410878 where: bonds (distance) C4'-P energy: -57.692 bonds (distance) P-C4' energy: -68.743 flat angles C4'-P-C4' energy: -61.972 flat angles P-C4'-P energy: -32.497 tors. eta vs tors. theta energy: -37.507 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: 9, replica: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -306.855283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.855283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.855283 (E_RNA) where: Base-Base interactions energy: -123.135 where: short stacking energy: -85.511 Base-Backbone interact. energy: -0.686 local terms energy: -183.033972 where: bonds (distance) C4'-P energy: -50.001 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -53.016 flat angles P-C4'-P energy: -24.630 tors. eta vs tors. theta energy: 9.488 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: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -282.725283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.725283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.725283 (E_RNA) where: Base-Base interactions energy: -84.349 where: short stacking energy: -80.829 Base-Backbone interact. energy: 1.358 local terms energy: -199.734923 where: bonds (distance) C4'-P energy: -55.457 bonds (distance) P-C4' energy: -67.152 flat angles C4'-P-C4' energy: -58.525 flat angles P-C4'-P energy: -23.253 tors. eta vs tors. theta energy: 4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1165.258851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.258851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.258851 (E_RNA) where: Base-Base interactions energy: -777.630 where: short stacking energy: -382.859 Base-Backbone interact. energy: -0.771 local terms energy: -386.857780 where: bonds (distance) C4'-P energy: -75.857 bonds (distance) P-C4' energy: -66.211 flat angles C4'-P-C4' energy: -76.873 flat angles P-C4'-P energy: -51.561 tors. eta vs tors. theta energy: -116.356 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: 478 Temperature: 0.950000 Total energy: -1122.164635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.164635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.164635 (E_RNA) where: Base-Base interactions energy: -759.189 where: short stacking energy: -350.030 Base-Backbone interact. energy: -3.493 local terms energy: -359.482203 where: bonds (distance) C4'-P energy: -64.309 bonds (distance) P-C4' energy: -70.709 flat angles C4'-P-C4' energy: -76.595 flat angles P-C4'-P energy: -48.003 tors. eta vs tors. theta energy: -99.866 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: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1029.842317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.842317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.842317 (E_RNA) where: Base-Base interactions energy: -696.968 where: short stacking energy: -322.941 Base-Backbone interact. energy: -0.467 local terms energy: -332.407262 where: bonds (distance) C4'-P energy: -58.307 bonds (distance) P-C4' energy: -60.629 flat angles C4'-P-C4' energy: -68.928 flat angles P-C4'-P energy: -49.229 tors. eta vs tors. theta energy: -95.314 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: 478 Temperature: 1.050000 Total energy: -1036.671321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.671321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.671321 (E_RNA) where: Base-Base interactions energy: -703.871 where: short stacking energy: -330.768 Base-Backbone interact. energy: -0.621 local terms energy: -332.179368 where: bonds (distance) C4'-P energy: -55.655 bonds (distance) P-C4' energy: -65.255 flat angles C4'-P-C4' energy: -71.988 flat angles P-C4'-P energy: -47.541 tors. eta vs tors. theta energy: -91.740 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: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -905.509227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.509227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.509227 (E_RNA) where: Base-Base interactions energy: -588.171 where: short stacking energy: -288.600 Base-Backbone interact. energy: -1.648 local terms energy: -315.690456 where: bonds (distance) C4'-P energy: -55.771 bonds (distance) P-C4' energy: -54.843 flat angles C4'-P-C4' energy: -73.971 flat angles P-C4'-P energy: -50.615 tors. eta vs tors. theta energy: -80.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -856.508796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.508796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.508796 (E_RNA) where: Base-Base interactions energy: -575.904 where: short stacking energy: -245.017 Base-Backbone interact. energy: -0.195 local terms energy: -280.409099 where: bonds (distance) C4'-P energy: -65.800 bonds (distance) P-C4' energy: -52.771 flat angles C4'-P-C4' energy: -59.126 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: -58.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -695.957274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.957274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.957274 (E_RNA) where: Base-Base interactions energy: -421.346 where: short stacking energy: -213.793 Base-Backbone interact. energy: 0.736 local terms energy: -275.347273 where: bonds (distance) C4'-P energy: -64.130 bonds (distance) P-C4' energy: -68.310 flat angles C4'-P-C4' energy: -59.835 flat angles P-C4'-P energy: -41.291 tors. eta vs tors. theta energy: -41.781 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: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -642.111649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.111649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.111649 (E_RNA) where: Base-Base interactions energy: -380.781 where: short stacking energy: -187.808 Base-Backbone interact. energy: 0.952 local terms energy: -262.283059 where: bonds (distance) C4'-P energy: -67.406 bonds (distance) P-C4' energy: -66.066 flat angles C4'-P-C4' energy: -55.669 flat angles P-C4'-P energy: -35.375 tors. eta vs tors. theta energy: -37.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -329.088756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.088756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.088756 (E_RNA) where: Base-Base interactions energy: -151.377 where: short stacking energy: -114.476 Base-Backbone interact. energy: 0.980 local terms energy: -178.691481 where: bonds (distance) C4'-P energy: -50.091 bonds (distance) P-C4' energy: -64.636 flat angles C4'-P-C4' energy: -26.499 flat angles P-C4'-P energy: -25.371 tors. eta vs tors. theta energy: -12.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -335.361373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.361373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.361373 (E_RNA) where: Base-Base interactions energy: -139.344 where: short stacking energy: -87.217 Base-Backbone interact. energy: -0.909 local terms energy: -195.107515 where: bonds (distance) C4'-P energy: -48.756 bonds (distance) P-C4' energy: -54.854 flat angles C4'-P-C4' energy: -56.322 flat angles P-C4'-P energy: -37.836 tors. eta vs tors. theta energy: 2.659 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: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1185.099829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.099829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.099829 (E_RNA) where: Base-Base interactions energy: -803.996 where: short stacking energy: -387.910 Base-Backbone interact. energy: -1.031 local terms energy: -380.072671 where: bonds (distance) C4'-P energy: -65.857 bonds (distance) P-C4' energy: -69.079 flat angles C4'-P-C4' energy: -72.628 flat angles P-C4'-P energy: -57.790 tors. eta vs tors. theta energy: -114.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1131.395931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.395931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.395931 (E_RNA) where: Base-Base interactions energy: -771.871 where: short stacking energy: -355.196 Base-Backbone interact. energy: -1.853 local terms energy: -357.672194 where: bonds (distance) C4'-P energy: -60.672 bonds (distance) P-C4' energy: -66.027 flat angles C4'-P-C4' energy: -81.278 flat angles P-C4'-P energy: -45.006 tors. eta vs tors. theta energy: -104.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1015.358147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.358147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.358147 (E_RNA) where: Base-Base interactions energy: -675.364 where: short stacking energy: -294.446 Base-Backbone interact. energy: -0.319 local terms energy: -339.674548 where: bonds (distance) C4'-P energy: -70.171 bonds (distance) P-C4' energy: -59.114 flat angles C4'-P-C4' energy: -75.725 flat angles P-C4'-P energy: -49.340 tors. eta vs tors. theta energy: -85.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1057.761364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.761364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.761364 (E_RNA) where: Base-Base interactions energy: -721.041 where: short stacking energy: -338.465 Base-Backbone interact. energy: -0.526 local terms energy: -336.194117 where: bonds (distance) C4'-P energy: -65.083 bonds (distance) P-C4' energy: -61.538 flat angles C4'-P-C4' energy: -66.241 flat angles P-C4'-P energy: -44.283 tors. eta vs tors. theta energy: -99.049 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: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -933.588664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.588664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.588664 (E_RNA) where: Base-Base interactions energy: -609.991 where: short stacking energy: -303.060 Base-Backbone interact. energy: -0.975 local terms energy: -322.622602 where: bonds (distance) C4'-P energy: -61.260 bonds (distance) P-C4' energy: -60.795 flat angles C4'-P-C4' energy: -78.773 flat angles P-C4'-P energy: -44.047 tors. eta vs tors. theta energy: -77.747 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: 5 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -841.106471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.106471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.106471 (E_RNA) where: Base-Base interactions energy: -548.055 where: short stacking energy: -231.963 Base-Backbone interact. energy: -0.746 local terms energy: -292.305101 where: bonds (distance) C4'-P energy: -60.672 bonds (distance) P-C4' energy: -68.274 flat angles C4'-P-C4' energy: -63.969 flat angles P-C4'-P energy: -34.690 tors. eta vs tors. theta energy: -64.701 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: 2 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -692.757703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.757703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.757703 (E_RNA) where: Base-Base interactions energy: -418.579 where: short stacking energy: -220.704 Base-Backbone interact. energy: 0.655 local terms energy: -274.833817 where: bonds (distance) C4'-P energy: -44.661 bonds (distance) P-C4' energy: -71.817 flat angles C4'-P-C4' energy: -70.493 flat angles P-C4'-P energy: -34.210 tors. eta vs tors. theta energy: -53.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -626.717044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.717044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.717044 (E_RNA) where: Base-Base interactions energy: -357.170 where: short stacking energy: -194.476 Base-Backbone interact. energy: -1.118 local terms energy: -268.428921 where: bonds (distance) C4'-P energy: -50.968 bonds (distance) P-C4' energy: -70.567 flat angles C4'-P-C4' energy: -62.546 flat angles P-C4'-P energy: -44.313 tors. eta vs tors. theta energy: -40.034 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: 7 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -402.580833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.580833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.580833 (E_RNA) where: Base-Base interactions energy: -199.684 where: short stacking energy: -137.927 Base-Backbone interact. energy: 7.430 local terms energy: -210.326114 where: bonds (distance) C4'-P energy: -52.351 bonds (distance) P-C4' energy: -57.429 flat angles C4'-P-C4' energy: -55.722 flat angles P-C4'-P energy: -26.097 tors. eta vs tors. theta energy: -18.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -292.483631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.483631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.483631 (E_RNA) where: Base-Base interactions energy: -108.544 where: short stacking energy: -84.803 Base-Backbone interact. energy: -2.982 local terms energy: -180.957614 where: bonds (distance) C4'-P energy: -49.464 bonds (distance) P-C4' energy: -60.078 flat angles C4'-P-C4' energy: -55.096 flat angles P-C4'-P energy: -18.089 tors. eta vs tors. theta energy: 1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1177.978387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.978387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.978387 (E_RNA) where: Base-Base interactions energy: -787.064 where: short stacking energy: -384.100 Base-Backbone interact. energy: -0.406 local terms energy: -390.508328 where: bonds (distance) C4'-P energy: -74.342 bonds (distance) P-C4' energy: -63.259 flat angles C4'-P-C4' energy: -83.985 flat angles P-C4'-P energy: -54.307 tors. eta vs tors. theta energy: -114.615 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: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1150.015393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.015393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.015393 (E_RNA) where: Base-Base interactions energy: -772.864 where: short stacking energy: -369.872 Base-Backbone interact. energy: 0.489 local terms energy: -377.639886 where: bonds (distance) C4'-P energy: -70.458 bonds (distance) P-C4' energy: -73.383 flat angles C4'-P-C4' energy: -83.868 flat angles P-C4'-P energy: -47.547 tors. eta vs tors. theta energy: -102.383 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: 3, replica: 4 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1062.325812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.325812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.325812 (E_RNA) where: Base-Base interactions energy: -715.095 where: short stacking energy: -343.834 Base-Backbone interact. energy: -0.359 local terms energy: -346.872254 where: bonds (distance) C4'-P energy: -58.304 bonds (distance) P-C4' energy: -69.409 flat angles C4'-P-C4' energy: -68.838 flat angles P-C4'-P energy: -53.389 tors. eta vs tors. theta energy: -96.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1021.616242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.616242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.616242 (E_RNA) where: Base-Base interactions energy: -679.203 where: short stacking energy: -315.527 Base-Backbone interact. energy: -0.300 local terms energy: -342.113079 where: bonds (distance) C4'-P energy: -60.179 bonds (distance) P-C4' energy: -69.369 flat angles C4'-P-C4' energy: -68.142 flat angles P-C4'-P energy: -49.929 tors. eta vs tors. theta energy: -94.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -936.056055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.056055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.056055 (E_RNA) where: Base-Base interactions energy: -612.634 where: short stacking energy: -274.731 Base-Backbone interact. energy: -3.252 local terms energy: -320.170001 where: bonds (distance) C4'-P energy: -65.730 bonds (distance) P-C4' energy: -63.313 flat angles C4'-P-C4' energy: -71.621 flat angles P-C4'-P energy: -44.584 tors. eta vs tors. theta energy: -74.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -800.773510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.773510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.773510 (E_RNA) where: Base-Base interactions energy: -525.107 where: short stacking energy: -228.610 Base-Backbone interact. energy: 1.351 local terms energy: -277.017907 where: bonds (distance) C4'-P energy: -51.756 bonds (distance) P-C4' energy: -54.511 flat angles C4'-P-C4' energy: -66.989 flat angles P-C4'-P energy: -47.618 tors. eta vs tors. theta energy: -56.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -629.651025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.651025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.651025 (E_RNA) where: Base-Base interactions energy: -362.565 where: short stacking energy: -187.074 Base-Backbone interact. energy: -0.558 local terms energy: -266.527795 where: bonds (distance) C4'-P energy: -60.645 bonds (distance) P-C4' energy: -64.427 flat angles C4'-P-C4' energy: -59.682 flat angles P-C4'-P energy: -40.707 tors. eta vs tors. theta energy: -41.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -633.863750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.863750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.863750 (E_RNA) where: Base-Base interactions energy: -405.145 where: short stacking energy: -180.815 Base-Backbone interact. energy: -1.991 local terms energy: -226.728022 where: bonds (distance) C4'-P energy: -52.933 bonds (distance) P-C4' energy: -54.352 flat angles C4'-P-C4' energy: -54.508 flat angles P-C4'-P energy: -37.785 tors. eta vs tors. theta energy: -27.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -378.374487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.374487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.374487 (E_RNA) where: Base-Base interactions energy: -179.451 where: short stacking energy: -107.796 Base-Backbone interact. energy: -1.943 local terms energy: -196.981143 where: bonds (distance) C4'-P energy: -61.670 bonds (distance) P-C4' energy: -60.718 flat angles C4'-P-C4' energy: -38.545 flat angles P-C4'-P energy: -37.227 tors. eta vs tors. theta energy: 1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -288.743272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.743272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.743272 (E_RNA) where: Base-Base interactions energy: -114.780 where: short stacking energy: -95.046 Base-Backbone interact. energy: -0.943 local terms energy: -173.020251 where: bonds (distance) C4'-P energy: -47.179 bonds (distance) P-C4' energy: -59.722 flat angles C4'-P-C4' energy: -36.074 flat angles P-C4'-P energy: -34.524 tors. eta vs tors. theta energy: 4.479 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: 1, replica: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1173.192511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.192511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.192511 (E_RNA) where: Base-Base interactions energy: -784.387 where: short stacking energy: -376.333 Base-Backbone interact. energy: -0.630 local terms energy: -388.175285 where: bonds (distance) C4'-P energy: -72.372 bonds (distance) P-C4' energy: -63.289 flat angles C4'-P-C4' energy: -82.328 flat angles P-C4'-P energy: -53.148 tors. eta vs tors. theta energy: -117.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1137.093397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.093397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.093397 (E_RNA) where: Base-Base interactions energy: -762.733 where: short stacking energy: -358.210 Base-Backbone interact. energy: -0.678 local terms energy: -373.682308 where: bonds (distance) C4'-P energy: -75.004 bonds (distance) P-C4' energy: -65.421 flat angles C4'-P-C4' energy: -86.372 flat angles P-C4'-P energy: -42.684 tors. eta vs tors. theta energy: -104.202 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: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1053.276348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.276348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.276348 (E_RNA) where: Base-Base interactions energy: -696.642 where: short stacking energy: -336.473 Base-Backbone interact. energy: -1.011 local terms energy: -355.623016 where: bonds (distance) C4'-P energy: -67.993 bonds (distance) P-C4' energy: -67.905 flat angles C4'-P-C4' energy: -75.789 flat angles P-C4'-P energy: -49.632 tors. eta vs tors. theta energy: -94.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1012.661810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.661810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.661810 (E_RNA) where: Base-Base interactions energy: -662.740 where: short stacking energy: -303.908 Base-Backbone interact. energy: -0.446 local terms energy: -349.475334 where: bonds (distance) C4'-P energy: -66.780 bonds (distance) P-C4' energy: -69.148 flat angles C4'-P-C4' energy: -69.038 flat angles P-C4'-P energy: -51.101 tors. eta vs tors. theta energy: -93.409 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: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -925.334614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.334614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.334614 (E_RNA) where: Base-Base interactions energy: -615.686 where: short stacking energy: -283.528 Base-Backbone interact. energy: -1.722 local terms energy: -307.926750 where: bonds (distance) C4'-P energy: -55.861 bonds (distance) P-C4' energy: -70.663 flat angles C4'-P-C4' energy: -72.845 flat angles P-C4'-P energy: -40.122 tors. eta vs tors. theta energy: -68.435 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: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -821.318669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.318669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.318669 (E_RNA) where: Base-Base interactions energy: -540.834 where: short stacking energy: -245.956 Base-Backbone interact. energy: -3.354 local terms energy: -277.130211 where: bonds (distance) C4'-P energy: -59.899 bonds (distance) P-C4' energy: -63.882 flat angles C4'-P-C4' energy: -63.408 flat angles P-C4'-P energy: -26.176 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: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -653.836836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.836836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.836836 (E_RNA) where: Base-Base interactions energy: -380.876 where: short stacking energy: -195.598 Base-Backbone interact. energy: -0.211 local terms energy: -272.749788 where: bonds (distance) C4'-P energy: -59.921 bonds (distance) P-C4' energy: -64.739 flat angles C4'-P-C4' energy: -70.188 flat angles P-C4'-P energy: -42.279 tors. eta vs tors. theta energy: -35.623 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: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -633.052817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.052817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.052817 (E_RNA) where: Base-Base interactions energy: -394.156 where: short stacking energy: -220.579 Base-Backbone interact. energy: -1.109 local terms energy: -237.787658 where: bonds (distance) C4'-P energy: -44.063 bonds (distance) P-C4' energy: -59.730 flat angles C4'-P-C4' energy: -62.374 flat angles P-C4'-P energy: -38.488 tors. eta vs tors. theta energy: -33.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -425.920475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.920475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.920475 (E_RNA) where: Base-Base interactions energy: -230.382 where: short stacking energy: -115.987 Base-Backbone interact. energy: -1.510 local terms energy: -194.028807 where: bonds (distance) C4'-P energy: -58.370 bonds (distance) P-C4' energy: -59.413 flat angles C4'-P-C4' energy: -48.785 flat angles P-C4'-P energy: -30.195 tors. eta vs tors. theta energy: 2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -274.498595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.498595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.498595 (E_RNA) where: Base-Base interactions energy: -103.383 where: short stacking energy: -85.074 Base-Backbone interact. energy: 0.330 local terms energy: -171.444988 where: bonds (distance) C4'-P energy: -56.776 bonds (distance) P-C4' energy: -56.926 flat angles C4'-P-C4' energy: -31.378 flat angles P-C4'-P energy: -33.233 tors. eta vs tors. theta energy: 6.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1194.987447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.987447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.987447 (E_RNA) where: Base-Base interactions energy: -804.972 where: short stacking energy: -394.632 Base-Backbone interact. energy: -1.111 local terms energy: -388.904148 where: bonds (distance) C4'-P energy: -68.135 bonds (distance) P-C4' energy: -73.995 flat angles C4'-P-C4' energy: -76.320 flat angles P-C4'-P energy: -51.856 tors. eta vs tors. theta energy: -118.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1139.443236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.443236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.443236 (E_RNA) where: Base-Base interactions energy: -772.224 where: short stacking energy: -369.347 Base-Backbone interact. energy: -0.188 local terms energy: -367.030801 where: bonds (distance) C4'-P energy: -56.565 bonds (distance) P-C4' energy: -73.098 flat angles C4'-P-C4' energy: -77.391 flat angles P-C4'-P energy: -54.804 tors. eta vs tors. theta energy: -105.174 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: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1048.017186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.017186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.017186 (E_RNA) where: Base-Base interactions energy: -708.182 where: short stacking energy: -345.425 Base-Backbone interact. energy: -0.126 local terms energy: -339.709573 where: bonds (distance) C4'-P energy: -50.537 bonds (distance) P-C4' energy: -65.757 flat angles C4'-P-C4' energy: -74.667 flat angles P-C4'-P energy: -45.864 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: 4, replica: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1040.507167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.507167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.507167 (E_RNA) where: Base-Base interactions energy: -704.199 where: short stacking energy: -327.286 Base-Backbone interact. energy: -0.309 local terms energy: -335.999668 where: bonds (distance) C4'-P energy: -56.934 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -72.788 flat angles P-C4'-P energy: -33.276 tors. eta vs tors. theta energy: -110.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -968.175532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.175532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.175532 (E_RNA) where: Base-Base interactions energy: -649.249 where: short stacking energy: -298.339 Base-Backbone interact. energy: 1.705 local terms energy: -320.631351 where: bonds (distance) C4'-P energy: -55.713 bonds (distance) P-C4' energy: -70.042 flat angles C4'-P-C4' energy: -68.431 flat angles P-C4'-P energy: -47.875 tors. eta vs tors. theta energy: -78.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -792.239590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.239590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.239590 (E_RNA) where: Base-Base interactions energy: -503.967 where: short stacking energy: -242.865 Base-Backbone interact. energy: -0.960 local terms energy: -287.312628 where: bonds (distance) C4'-P energy: -57.967 bonds (distance) P-C4' energy: -59.715 flat angles C4'-P-C4' energy: -67.349 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -59.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -660.259557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.259557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.259557 (E_RNA) where: Base-Base interactions energy: -386.839 where: short stacking energy: -209.451 Base-Backbone interact. energy: -1.175 local terms energy: -272.245764 where: bonds (distance) C4'-P energy: -62.321 bonds (distance) P-C4' energy: -60.675 flat angles C4'-P-C4' energy: -63.160 flat angles P-C4'-P energy: -38.421 tors. eta vs tors. theta energy: -47.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -602.285989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.285989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.285989 (E_RNA) where: Base-Base interactions energy: -372.311 where: short stacking energy: -210.328 Base-Backbone interact. energy: 0.668 local terms energy: -230.642990 where: bonds (distance) C4'-P energy: -53.425 bonds (distance) P-C4' energy: -63.676 flat angles C4'-P-C4' energy: -51.109 flat angles P-C4'-P energy: -28.064 tors. eta vs tors. theta energy: -34.370 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: 7 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -383.595777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.595777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.595777 (E_RNA) where: Base-Base interactions energy: -183.425 where: short stacking energy: -136.715 Base-Backbone interact. energy: -0.511 local terms energy: -199.660071 where: bonds (distance) C4'-P energy: -55.533 bonds (distance) P-C4' energy: -47.608 flat angles C4'-P-C4' energy: -59.801 flat angles P-C4'-P energy: -30.389 tors. eta vs tors. theta energy: -6.329 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: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -294.212560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.212560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.212560 (E_RNA) where: Base-Base interactions energy: -89.385 where: short stacking energy: -84.405 Base-Backbone interact. energy: 2.443 local terms energy: -207.270965 where: bonds (distance) C4'-P energy: -57.450 bonds (distance) P-C4' energy: -66.456 flat angles C4'-P-C4' energy: -54.094 flat angles P-C4'-P energy: -35.134 tors. eta vs tors. theta energy: 5.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1188.184572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.184572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.184572 (E_RNA) where: Base-Base interactions energy: -794.036 where: short stacking energy: -367.267 Base-Backbone interact. energy: -1.558 local terms energy: -392.590156 where: bonds (distance) C4'-P energy: -66.409 bonds (distance) P-C4' energy: -72.839 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -55.354 tors. eta vs tors. theta energy: -113.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1155.576410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.576410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.576410 (E_RNA) where: Base-Base interactions energy: -785.314 where: short stacking energy: -355.898 Base-Backbone interact. energy: -0.477 local terms energy: -369.785339 where: bonds (distance) C4'-P energy: -76.913 bonds (distance) P-C4' energy: -69.577 flat angles C4'-P-C4' energy: -79.179 flat angles P-C4'-P energy: -41.125 tors. eta vs tors. theta energy: -102.991 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: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1046.966918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.966918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.966918 (E_RNA) where: Base-Base interactions energy: -689.884 where: short stacking energy: -338.072 Base-Backbone interact. energy: -0.887 local terms energy: -356.196381 where: bonds (distance) C4'-P energy: -66.356 bonds (distance) P-C4' energy: -65.503 flat angles C4'-P-C4' energy: -76.272 flat angles P-C4'-P energy: -45.811 tors. eta vs tors. theta energy: -102.256 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: 9 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1049.977954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.977954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.977954 (E_RNA) where: Base-Base interactions energy: -711.315 where: short stacking energy: -330.869 Base-Backbone interact. energy: -0.928 local terms energy: -337.734820 where: bonds (distance) C4'-P energy: -52.958 bonds (distance) P-C4' energy: -69.086 flat angles C4'-P-C4' energy: -78.456 flat angles P-C4'-P energy: -54.599 tors. eta vs tors. theta energy: -82.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -934.710960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.710960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.710960 (E_RNA) where: Base-Base interactions energy: -624.263 where: short stacking energy: -285.829 Base-Backbone interact. energy: 7.436 local terms energy: -317.883957 where: bonds (distance) C4'-P energy: -64.635 bonds (distance) P-C4' energy: -66.542 flat angles C4'-P-C4' energy: -64.362 flat angles P-C4'-P energy: -41.156 tors. eta vs tors. theta energy: -81.190 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: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -831.192618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.192618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.192618 (E_RNA) where: Base-Base interactions energy: -562.331 where: short stacking energy: -256.379 Base-Backbone interact. energy: -0.834 local terms energy: -268.027675 where: bonds (distance) C4'-P energy: -54.186 bonds (distance) P-C4' energy: -49.827 flat angles C4'-P-C4' energy: -60.409 flat angles P-C4'-P energy: -43.369 tors. eta vs tors. theta energy: -60.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -654.158760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.158760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.158760 (E_RNA) where: Base-Base interactions energy: -385.793 where: short stacking energy: -191.773 Base-Backbone interact. energy: -1.146 local terms energy: -267.218906 where: bonds (distance) C4'-P energy: -49.971 bonds (distance) P-C4' energy: -64.862 flat angles C4'-P-C4' energy: -58.827 flat angles P-C4'-P energy: -49.200 tors. eta vs tors. theta energy: -44.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -594.277841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.277841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.277841 (E_RNA) where: Base-Base interactions energy: -348.650 where: short stacking energy: -188.705 Base-Backbone interact. energy: 3.422 local terms energy: -249.049725 where: bonds (distance) C4'-P energy: -57.248 bonds (distance) P-C4' energy: -59.611 flat angles C4'-P-C4' energy: -67.345 flat angles P-C4'-P energy: -33.099 tors. eta vs tors. theta energy: -31.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -336.902294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.902294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.902294 (E_RNA) where: Base-Base interactions energy: -128.123 where: short stacking energy: -90.737 Base-Backbone interact. energy: 0.457 local terms energy: -209.236638 where: bonds (distance) C4'-P energy: -66.474 bonds (distance) P-C4' energy: -57.243 flat angles C4'-P-C4' energy: -50.279 flat angles P-C4'-P energy: -35.555 tors. eta vs tors. theta energy: 0.315 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: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -350.935713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.935713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.935713 (E_RNA) where: Base-Base interactions energy: -151.405 where: short stacking energy: -97.110 Base-Backbone interact. energy: 0.815 local terms energy: -200.345423 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -57.800 flat angles C4'-P-C4' energy: -43.971 flat angles P-C4'-P energy: -31.041 tors. eta vs tors. theta energy: -4.056 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: 8 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1163.651998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.651998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.651998 (E_RNA) where: Base-Base interactions energy: -782.009 where: short stacking energy: -383.576 Base-Backbone interact. energy: -1.069 local terms energy: -380.573891 where: bonds (distance) C4'-P energy: -64.437 bonds (distance) P-C4' energy: -67.448 flat angles C4'-P-C4' energy: -84.561 flat angles P-C4'-P energy: -54.549 tors. eta vs tors. theta energy: -109.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1159.659160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.659160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.659160 (E_RNA) where: Base-Base interactions energy: -773.288 where: short stacking energy: -362.556 Base-Backbone interact. energy: -0.581 local terms energy: -385.790504 where: bonds (distance) C4'-P energy: -73.359 bonds (distance) P-C4' energy: -74.963 flat angles C4'-P-C4' energy: -70.106 flat angles P-C4'-P energy: -59.792 tors. eta vs tors. theta energy: -107.571 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: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1054.545442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.545442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.545442 (E_RNA) where: Base-Base interactions energy: -709.194 where: short stacking energy: -341.731 Base-Backbone interact. energy: -1.367 local terms energy: -343.985092 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -62.926 flat angles C4'-P-C4' energy: -73.944 flat angles P-C4'-P energy: -51.153 tors. eta vs tors. theta energy: -99.429 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: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1051.126158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.126158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.126158 (E_RNA) where: Base-Base interactions energy: -691.124 where: short stacking energy: -327.930 Base-Backbone interact. energy: -1.368 local terms energy: -358.634276 where: bonds (distance) C4'-P energy: -68.680 bonds (distance) P-C4' energy: -71.090 flat angles C4'-P-C4' energy: -72.533 flat angles P-C4'-P energy: -47.302 tors. eta vs tors. theta energy: -99.030 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: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -931.067506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.067506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.067506 (E_RNA) where: Base-Base interactions energy: -622.006 where: short stacking energy: -291.977 Base-Backbone interact. energy: -1.448 local terms energy: -307.613500 where: bonds (distance) C4'-P energy: -63.482 bonds (distance) P-C4' energy: -49.149 flat angles C4'-P-C4' energy: -66.557 flat angles P-C4'-P energy: -40.669 tors. eta vs tors. theta energy: -87.756 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: 5 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -811.652892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.652892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.652892 (E_RNA) where: Base-Base interactions energy: -513.107 where: short stacking energy: -235.132 Base-Backbone interact. energy: -1.080 local terms energy: -297.465772 where: bonds (distance) C4'-P energy: -62.024 bonds (distance) P-C4' energy: -70.780 flat angles C4'-P-C4' energy: -64.456 flat angles P-C4'-P energy: -41.888 tors. eta vs tors. theta energy: -58.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -665.964846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.964846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.964846 (E_RNA) where: Base-Base interactions energy: -411.374 where: short stacking energy: -216.262 Base-Backbone interact. energy: -0.841 local terms energy: -253.749730 where: bonds (distance) C4'-P energy: -65.890 bonds (distance) P-C4' energy: -55.354 flat angles C4'-P-C4' energy: -45.359 flat angles P-C4'-P energy: -42.305 tors. eta vs tors. theta energy: -44.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -659.502906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.502906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.502906 (E_RNA) where: Base-Base interactions energy: -400.070 where: short stacking energy: -183.394 Base-Backbone interact. energy: -0.899 local terms energy: -258.533415 where: bonds (distance) C4'-P energy: -59.466 bonds (distance) P-C4' energy: -55.828 flat angles C4'-P-C4' energy: -65.940 flat angles P-C4'-P energy: -39.145 tors. eta vs tors. theta energy: -38.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -333.368466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.368466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.368466 (E_RNA) where: Base-Base interactions energy: -152.108 where: short stacking energy: -101.651 Base-Backbone interact. energy: -0.590 local terms energy: -180.670232 where: bonds (distance) C4'-P energy: -38.652 bonds (distance) P-C4' energy: -68.546 flat angles C4'-P-C4' energy: -33.947 flat angles P-C4'-P energy: -38.123 tors. eta vs tors. theta energy: -1.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -362.080888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.080888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.080888 (E_RNA) where: Base-Base interactions energy: -152.910 where: short stacking energy: -104.766 Base-Backbone interact. energy: -1.673 local terms energy: -207.498015 where: bonds (distance) C4'-P energy: -57.241 bonds (distance) P-C4' energy: -71.289 flat angles C4'-P-C4' energy: -53.004 flat angles P-C4'-P energy: -28.422 tors. eta vs tors. theta energy: 2.458 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: 8 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1165.338916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.338916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.338916 (E_RNA) where: Base-Base interactions energy: -781.308 where: short stacking energy: -373.690 Base-Backbone interact. energy: -2.476 local terms energy: -381.554102 where: bonds (distance) C4'-P energy: -69.526 bonds (distance) P-C4' energy: -70.100 flat angles C4'-P-C4' energy: -73.996 flat angles P-C4'-P energy: -56.109 tors. eta vs tors. theta energy: -111.823 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: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1136.095809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.095809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.095809 (E_RNA) where: Base-Base interactions energy: -759.176 where: short stacking energy: -365.761 Base-Backbone interact. energy: -1.056 local terms energy: -375.863706 where: bonds (distance) C4'-P energy: -59.780 bonds (distance) P-C4' energy: -73.294 flat angles C4'-P-C4' energy: -79.230 flat angles P-C4'-P energy: -55.641 tors. eta vs tors. theta energy: -107.918 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: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1067.889608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.889608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.889608 (E_RNA) where: Base-Base interactions energy: -722.056 where: short stacking energy: -338.237 Base-Backbone interact. energy: -0.216 local terms energy: -345.617850 where: bonds (distance) C4'-P energy: -59.908 bonds (distance) P-C4' energy: -58.367 flat angles C4'-P-C4' energy: -77.320 flat angles P-C4'-P energy: -46.266 tors. eta vs tors. theta energy: -103.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1011.375029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.375029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.375029 (E_RNA) where: Base-Base interactions energy: -671.527 where: short stacking energy: -327.562 Base-Backbone interact. energy: 0.866 local terms energy: -340.713901 where: bonds (distance) C4'-P energy: -59.014 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -71.977 flat angles P-C4'-P energy: -49.704 tors. eta vs tors. theta energy: -99.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -919.070280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.070280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.070280 (E_RNA) where: Base-Base interactions energy: -612.427 where: short stacking energy: -291.495 Base-Backbone interact. energy: 0.782 local terms energy: -307.425076 where: bonds (distance) C4'-P energy: -53.890 bonds (distance) P-C4' energy: -66.009 flat angles C4'-P-C4' energy: -63.938 flat angles P-C4'-P energy: -41.773 tors. eta vs tors. theta energy: -81.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -839.038179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.038179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.038179 (E_RNA) where: Base-Base interactions energy: -562.095 where: short stacking energy: -258.537 Base-Backbone interact. energy: 5.596 local terms energy: -282.539091 where: bonds (distance) C4'-P energy: -59.802 bonds (distance) P-C4' energy: -57.189 flat angles C4'-P-C4' energy: -72.635 flat angles P-C4'-P energy: -29.940 tors. eta vs tors. theta energy: -62.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -670.533770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.533770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.533770 (E_RNA) where: Base-Base interactions energy: -399.535 where: short stacking energy: -205.334 Base-Backbone interact. energy: -0.608 local terms energy: -270.391543 where: bonds (distance) C4'-P energy: -52.344 bonds (distance) P-C4' energy: -67.820 flat angles C4'-P-C4' energy: -58.027 flat angles P-C4'-P energy: -46.063 tors. eta vs tors. theta energy: -46.138 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: 8, replica: 6 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -637.064119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.064119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.064119 (E_RNA) where: Base-Base interactions energy: -392.296 where: short stacking energy: -191.356 Base-Backbone interact. energy: 1.296 local terms energy: -246.064029 where: bonds (distance) C4'-P energy: -40.337 bonds (distance) P-C4' energy: -55.531 flat angles C4'-P-C4' energy: -59.894 flat angles P-C4'-P energy: -39.394 tors. eta vs tors. theta energy: -50.908 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: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -302.441905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.441905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.441905 (E_RNA) where: Base-Base interactions energy: -135.731 where: short stacking energy: -81.551 Base-Backbone interact. energy: 3.193 local terms energy: -169.903428 where: bonds (distance) C4'-P energy: -59.100 bonds (distance) P-C4' energy: -57.491 flat angles C4'-P-C4' energy: -33.923 flat angles P-C4'-P energy: -26.391 tors. eta vs tors. theta energy: 7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -281.942809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.942809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.942809 (E_RNA) where: Base-Base interactions energy: -103.372 where: short stacking energy: -86.500 Base-Backbone interact. energy: -1.512 local terms energy: -177.058381 where: bonds (distance) C4'-P energy: -45.419 bonds (distance) P-C4' energy: -54.959 flat angles C4'-P-C4' energy: -50.150 flat angles P-C4'-P energy: -29.328 tors. eta vs tors. theta energy: 2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1167.036500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.036500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.036500 (E_RNA) where: Base-Base interactions energy: -793.956 where: short stacking energy: -369.154 Base-Backbone interact. energy: -0.883 local terms energy: -372.196702 where: bonds (distance) C4'-P energy: -72.579 bonds (distance) P-C4' energy: -70.360 flat angles C4'-P-C4' energy: -70.237 flat angles P-C4'-P energy: -46.442 tors. eta vs tors. theta energy: -112.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1155.561501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.561501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.561501 (E_RNA) where: Base-Base interactions energy: -783.113 where: short stacking energy: -369.311 Base-Backbone interact. energy: -1.152 local terms energy: -371.297040 where: bonds (distance) C4'-P energy: -63.019 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -75.596 flat angles P-C4'-P energy: -55.248 tors. eta vs tors. theta energy: -107.682 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: 4 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1097.284085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.284085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.284085 (E_RNA) where: Base-Base interactions energy: -741.740 where: short stacking energy: -367.238 Base-Backbone interact. energy: 0.070 local terms energy: -355.614799 where: bonds (distance) C4'-P energy: -60.226 bonds (distance) P-C4' energy: -71.387 flat angles C4'-P-C4' energy: -75.895 flat angles P-C4'-P energy: -49.841 tors. eta vs tors. theta energy: -98.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1015.827757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.827757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.827757 (E_RNA) where: Base-Base interactions energy: -673.899 where: short stacking energy: -317.155 Base-Backbone interact. energy: -0.341 local terms energy: -341.588500 where: bonds (distance) C4'-P energy: -64.506 bonds (distance) P-C4' energy: -67.422 flat angles C4'-P-C4' energy: -70.376 flat angles P-C4'-P energy: -56.634 tors. eta vs tors. theta energy: -82.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -857.969338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.969338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.969338 (E_RNA) where: Base-Base interactions energy: -551.926 where: short stacking energy: -259.442 Base-Backbone interact. energy: -1.941 local terms energy: -304.102332 where: bonds (distance) C4'-P energy: -67.086 bonds (distance) P-C4' energy: -63.359 flat angles C4'-P-C4' energy: -71.018 flat angles P-C4'-P energy: -39.886 tors. eta vs tors. theta energy: -62.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -873.830623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.830623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.830623 (E_RNA) where: Base-Base interactions energy: -584.216 where: short stacking energy: -255.239 Base-Backbone interact. energy: -2.476 local terms energy: -287.137812 where: bonds (distance) C4'-P energy: -58.681 bonds (distance) P-C4' energy: -67.101 flat angles C4'-P-C4' energy: -69.329 flat angles P-C4'-P energy: -33.075 tors. eta vs tors. theta energy: -58.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -684.866284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.866284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.866284 (E_RNA) where: Base-Base interactions energy: -426.792 where: short stacking energy: -212.417 Base-Backbone interact. energy: -1.111 local terms energy: -256.964004 where: bonds (distance) C4'-P energy: -57.994 bonds (distance) P-C4' energy: -57.071 flat angles C4'-P-C4' energy: -54.547 flat angles P-C4'-P energy: -38.578 tors. eta vs tors. theta energy: -48.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -624.020848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.020848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.020848 (E_RNA) where: Base-Base interactions energy: -395.563 where: short stacking energy: -182.296 Base-Backbone interact. energy: 1.690 local terms energy: -230.148070 where: bonds (distance) C4'-P energy: -55.572 bonds (distance) P-C4' energy: -57.911 flat angles C4'-P-C4' energy: -41.233 flat angles P-C4'-P energy: -42.104 tors. eta vs tors. theta energy: -33.328 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: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -340.409636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.409636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.409636 (E_RNA) where: Base-Base interactions energy: -132.437 where: short stacking energy: -117.567 Base-Backbone interact. energy: -1.266 local terms energy: -206.706086 where: bonds (distance) C4'-P energy: -52.539 bonds (distance) P-C4' energy: -69.176 flat angles C4'-P-C4' energy: -49.726 flat angles P-C4'-P energy: -30.794 tors. eta vs tors. theta energy: -4.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -335.841313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.841313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.841313 (E_RNA) where: Base-Base interactions energy: -117.561 where: short stacking energy: -85.662 Base-Backbone interact. energy: 0.312 local terms energy: -218.592971 where: bonds (distance) C4'-P energy: -58.042 bonds (distance) P-C4' energy: -64.772 flat angles C4'-P-C4' energy: -63.663 flat angles P-C4'-P energy: -38.610 tors. eta vs tors. theta energy: 6.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1167.191809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.191809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.191809 (E_RNA) where: Base-Base interactions energy: -777.692 where: short stacking energy: -349.647 Base-Backbone interact. energy: -1.087 local terms energy: -388.412392 where: bonds (distance) C4'-P energy: -69.181 bonds (distance) P-C4' energy: -79.313 flat angles C4'-P-C4' energy: -78.826 flat angles P-C4'-P energy: -54.814 tors. eta vs tors. theta energy: -106.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1176.270992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.270992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.270992 (E_RNA) where: Base-Base interactions energy: -805.498 where: short stacking energy: -381.346 Base-Backbone interact. energy: -1.181 local terms energy: -369.591945 where: bonds (distance) C4'-P energy: -63.192 bonds (distance) P-C4' energy: -74.374 flat angles C4'-P-C4' energy: -73.906 flat angles P-C4'-P energy: -46.921 tors. eta vs tors. theta energy: -111.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1071.108241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.108241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.108241 (E_RNA) where: Base-Base interactions energy: -696.414 where: short stacking energy: -335.073 Base-Backbone interact. energy: -0.408 local terms energy: -374.286494 where: bonds (distance) C4'-P energy: -69.177 bonds (distance) P-C4' energy: -70.295 flat angles C4'-P-C4' energy: -71.493 flat angles P-C4'-P energy: -57.287 tors. eta vs tors. theta energy: -106.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1007.540399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.540399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.540399 (E_RNA) where: Base-Base interactions energy: -676.981 where: short stacking energy: -319.796 Base-Backbone interact. energy: -1.373 local terms energy: -329.187139 where: bonds (distance) C4'-P energy: -59.491 bonds (distance) P-C4' energy: -71.575 flat angles C4'-P-C4' energy: -69.486 flat angles P-C4'-P energy: -35.397 tors. eta vs tors. theta energy: -93.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -858.807435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.807435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.807435 (E_RNA) where: Base-Base interactions energy: -553.361 where: short stacking energy: -253.613 Base-Backbone interact. energy: 0.316 local terms energy: -305.762267 where: bonds (distance) C4'-P energy: -61.228 bonds (distance) P-C4' energy: -63.812 flat angles C4'-P-C4' energy: -66.431 flat angles P-C4'-P energy: -48.083 tors. eta vs tors. theta energy: -66.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -883.254321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.254321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.254321 (E_RNA) where: Base-Base interactions energy: -565.781 where: short stacking energy: -257.413 Base-Backbone interact. energy: -2.222 local terms energy: -315.250392 where: bonds (distance) C4'-P energy: -72.801 bonds (distance) P-C4' energy: -69.861 flat angles C4'-P-C4' energy: -63.001 flat angles P-C4'-P energy: -39.828 tors. eta vs tors. theta energy: -69.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -671.262602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.262602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.262602 (E_RNA) where: Base-Base interactions energy: -400.490 where: short stacking energy: -200.259 Base-Backbone interact. energy: -1.459 local terms energy: -269.314202 where: bonds (distance) C4'-P energy: -59.128 bonds (distance) P-C4' energy: -68.700 flat angles C4'-P-C4' energy: -55.552 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: -47.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -623.643967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.643967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.643967 (E_RNA) where: Base-Base interactions energy: -367.767 where: short stacking energy: -189.249 Base-Backbone interact. energy: -1.525 local terms energy: -254.352283 where: bonds (distance) C4'-P energy: -61.843 bonds (distance) P-C4' energy: -52.844 flat angles C4'-P-C4' energy: -65.910 flat angles P-C4'-P energy: -39.763 tors. eta vs tors. theta energy: -33.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -390.925073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.925073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.925073 (E_RNA) where: Base-Base interactions energy: -189.832 where: short stacking energy: -108.727 Base-Backbone interact. energy: -0.993 local terms energy: -200.100185 where: bonds (distance) C4'-P energy: -56.280 bonds (distance) P-C4' energy: -57.944 flat angles C4'-P-C4' energy: -51.163 flat angles P-C4'-P energy: -31.479 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -270.558501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.558501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.558501 (E_RNA) where: Base-Base interactions energy: -83.711 where: short stacking energy: -77.511 Base-Backbone interact. energy: 5.120 local terms energy: -191.966785 where: bonds (distance) C4'-P energy: -53.434 bonds (distance) P-C4' energy: -54.543 flat angles C4'-P-C4' energy: -55.358 flat angles P-C4'-P energy: -40.753 tors. eta vs tors. theta energy: 12.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1171.897171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.897171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.897171 (E_RNA) where: Base-Base interactions energy: -784.815 where: short stacking energy: -364.111 Base-Backbone interact. energy: -0.333 local terms energy: -386.749127 where: bonds (distance) C4'-P energy: -64.143 bonds (distance) P-C4' energy: -75.673 flat angles C4'-P-C4' energy: -77.885 flat angles P-C4'-P energy: -60.981 tors. eta vs tors. theta energy: -108.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1136.346669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.346669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.346669 (E_RNA) where: Base-Base interactions energy: -782.704 where: short stacking energy: -366.930 Base-Backbone interact. energy: 4.314 local terms energy: -357.956854 where: bonds (distance) C4'-P energy: -61.160 bonds (distance) P-C4' energy: -70.536 flat angles C4'-P-C4' energy: -75.376 flat angles P-C4'-P energy: -43.898 tors. eta vs tors. theta energy: -106.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1062.206900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.206900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.206900 (E_RNA) where: Base-Base interactions energy: -714.877 where: short stacking energy: -337.956 Base-Backbone interact. energy: -1.245 local terms energy: -346.085011 where: bonds (distance) C4'-P energy: -62.648 bonds (distance) P-C4' energy: -62.501 flat angles C4'-P-C4' energy: -75.098 flat angles P-C4'-P energy: -53.129 tors. eta vs tors. theta energy: -92.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1035.374736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.374736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.374736 (E_RNA) where: Base-Base interactions energy: -708.175 where: short stacking energy: -320.261 Base-Backbone interact. energy: -0.113 local terms energy: -327.086286 where: bonds (distance) C4'-P energy: -62.339 bonds (distance) P-C4' energy: -57.452 flat angles C4'-P-C4' energy: -62.730 flat angles P-C4'-P energy: -56.672 tors. eta vs tors. theta energy: -87.893 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: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -874.068928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.068928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.068928 (E_RNA) where: Base-Base interactions energy: -559.196 where: short stacking energy: -245.484 Base-Backbone interact. energy: 0.578 local terms energy: -315.450748 where: bonds (distance) C4'-P energy: -71.376 bonds (distance) P-C4' energy: -67.140 flat angles C4'-P-C4' energy: -72.249 flat angles P-C4'-P energy: -45.594 tors. eta vs tors. theta energy: -59.091 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: 5 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -863.011660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.011660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.011660 (E_RNA) where: Base-Base interactions energy: -570.002 where: short stacking energy: -257.888 Base-Backbone interact. energy: 0.692 local terms energy: -293.702536 where: bonds (distance) C4'-P energy: -47.766 bonds (distance) P-C4' energy: -62.925 flat angles C4'-P-C4' energy: -66.169 flat angles P-C4'-P energy: -41.289 tors. eta vs tors. theta energy: -75.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -675.900902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.900902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.900902 (E_RNA) where: Base-Base interactions energy: -393.613 where: short stacking energy: -193.353 Base-Backbone interact. energy: 0.150 local terms energy: -282.438022 where: bonds (distance) C4'-P energy: -56.645 bonds (distance) P-C4' energy: -58.500 flat angles C4'-P-C4' energy: -71.498 flat angles P-C4'-P energy: -40.895 tors. eta vs tors. theta energy: -54.901 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: 2 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -634.042708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.042708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.042708 (E_RNA) where: Base-Base interactions energy: -369.712 where: short stacking energy: -201.086 Base-Backbone interact. energy: 1.749 local terms energy: -266.079972 where: bonds (distance) C4'-P energy: -63.252 bonds (distance) P-C4' energy: -56.000 flat angles C4'-P-C4' energy: -62.075 flat angles P-C4'-P energy: -38.584 tors. eta vs tors. theta energy: -46.168 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: 7 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -352.586664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.586664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.586664 (E_RNA) where: Base-Base interactions energy: -144.978 where: short stacking energy: -107.305 Base-Backbone interact. energy: 4.737 local terms energy: -212.345395 where: bonds (distance) C4'-P energy: -55.566 bonds (distance) P-C4' energy: -68.619 flat angles C4'-P-C4' energy: -46.634 flat angles P-C4'-P energy: -32.819 tors. eta vs tors. theta energy: -8.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -299.298337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.298337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.298337 (E_RNA) where: Base-Base interactions energy: -115.315 where: short stacking energy: -109.651 Base-Backbone interact. energy: -0.337 local terms energy: -183.646547 where: bonds (distance) C4'-P energy: -49.129 bonds (distance) P-C4' energy: -64.819 flat angles C4'-P-C4' energy: -33.927 flat angles P-C4'-P energy: -32.094 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1173.462905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.462905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.462905 (E_RNA) where: Base-Base interactions energy: -803.334 where: short stacking energy: -377.421 Base-Backbone interact. energy: -0.601 local terms energy: -369.527616 where: bonds (distance) C4'-P energy: -58.081 bonds (distance) P-C4' energy: -63.577 flat angles C4'-P-C4' energy: -85.690 flat angles P-C4'-P energy: -50.109 tors. eta vs tors. theta energy: -112.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1137.963699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.963699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.963699 (E_RNA) where: Base-Base interactions energy: -766.111 where: short stacking energy: -362.242 Base-Backbone interact. energy: -0.801 local terms energy: -371.051416 where: bonds (distance) C4'-P energy: -66.181 bonds (distance) P-C4' energy: -71.862 flat angles C4'-P-C4' energy: -79.266 flat angles P-C4'-P energy: -45.033 tors. eta vs tors. theta energy: -108.709 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: 9 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1051.865016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.865016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.865016 (E_RNA) where: Base-Base interactions energy: -704.316 where: short stacking energy: -334.341 Base-Backbone interact. energy: -1.328 local terms energy: -346.220993 where: bonds (distance) C4'-P energy: -58.724 bonds (distance) P-C4' energy: -69.955 flat angles C4'-P-C4' energy: -70.452 flat angles P-C4'-P energy: -48.194 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: 489 Temperature: 1.050000 Total energy: -1037.611842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.611842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.611842 (E_RNA) where: Base-Base interactions energy: -699.120 where: short stacking energy: -326.571 Base-Backbone interact. energy: -1.138 local terms energy: -337.353672 where: bonds (distance) C4'-P energy: -57.892 bonds (distance) P-C4' energy: -64.724 flat angles C4'-P-C4' energy: -68.705 flat angles P-C4'-P energy: -53.193 tors. eta vs tors. theta energy: -92.838 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: 489 Temperature: 1.100000 Total energy: -928.593245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.593245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.593245 (E_RNA) where: Base-Base interactions energy: -616.892 where: short stacking energy: -289.784 Base-Backbone interact. energy: 0.980 local terms energy: -312.681061 where: bonds (distance) C4'-P energy: -62.834 bonds (distance) P-C4' energy: -63.987 flat angles C4'-P-C4' energy: -67.897 flat angles P-C4'-P energy: -44.886 tors. eta vs tors. theta energy: -73.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -822.522299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.522299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.522299 (E_RNA) where: Base-Base interactions energy: -549.364 where: short stacking energy: -249.790 Base-Backbone interact. energy: 2.061 local terms energy: -275.219784 where: bonds (distance) C4'-P energy: -57.268 bonds (distance) P-C4' energy: -62.007 flat angles C4'-P-C4' energy: -52.366 flat angles P-C4'-P energy: -42.511 tors. eta vs tors. theta energy: -61.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -730.887815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.887815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.887815 (E_RNA) where: Base-Base interactions energy: -448.144 where: short stacking energy: -238.668 Base-Backbone interact. energy: -0.631 local terms energy: -282.112263 where: bonds (distance) C4'-P energy: -63.894 bonds (distance) P-C4' energy: -59.405 flat angles C4'-P-C4' energy: -62.211 flat angles P-C4'-P energy: -39.723 tors. eta vs tors. theta energy: -56.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -587.995790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.995790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.995790 (E_RNA) where: Base-Base interactions energy: -342.778 where: short stacking energy: -180.338 Base-Backbone interact. energy: 1.249 local terms energy: -246.466751 where: bonds (distance) C4'-P energy: -58.575 bonds (distance) P-C4' energy: -52.235 flat angles C4'-P-C4' energy: -62.370 flat angles P-C4'-P energy: -37.360 tors. eta vs tors. theta energy: -35.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -352.642493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.642493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.642493 (E_RNA) where: Base-Base interactions energy: -152.466 where: short stacking energy: -89.979 Base-Backbone interact. energy: -1.328 local terms energy: -198.848378 where: bonds (distance) C4'-P energy: -59.611 bonds (distance) P-C4' energy: -68.522 flat angles C4'-P-C4' energy: -43.217 flat angles P-C4'-P energy: -29.217 tors. eta vs tors. theta energy: 1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -301.682988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.682988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.682988 (E_RNA) where: Base-Base interactions energy: -118.261 where: short stacking energy: -86.208 Base-Backbone interact. energy: 1.229 local terms energy: -184.650852 where: bonds (distance) C4'-P energy: -59.560 bonds (distance) P-C4' energy: -53.605 flat angles C4'-P-C4' energy: -45.345 flat angles P-C4'-P energy: -29.178 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: 1, replica: 1 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1171.111136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.111136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.111136 (E_RNA) where: Base-Base interactions energy: -784.242 where: short stacking energy: -374.568 Base-Backbone interact. energy: -0.420 local terms energy: -386.448464 where: bonds (distance) C4'-P energy: -73.504 bonds (distance) P-C4' energy: -64.958 flat angles C4'-P-C4' energy: -78.831 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -110.123 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: 2, replica: 8 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1139.960245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.960245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.960245 (E_RNA) where: Base-Base interactions energy: -774.990 where: short stacking energy: -371.363 Base-Backbone interact. energy: -0.157 local terms energy: -364.813870 where: bonds (distance) C4'-P energy: -63.516 bonds (distance) P-C4' energy: -65.381 flat angles C4'-P-C4' energy: -75.308 flat angles P-C4'-P energy: -53.154 tors. eta vs tors. theta energy: -107.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1057.044252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.044252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.044252 (E_RNA) where: Base-Base interactions energy: -715.491 where: short stacking energy: -338.044 Base-Backbone interact. energy: 0.152 local terms energy: -341.705431 where: bonds (distance) C4'-P energy: -62.060 bonds (distance) P-C4' energy: -69.887 flat angles C4'-P-C4' energy: -65.058 flat angles P-C4'-P energy: -49.950 tors. eta vs tors. theta energy: -94.750 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: 9 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1018.164934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.164934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.164934 (E_RNA) where: Base-Base interactions energy: -668.740 where: short stacking energy: -313.459 Base-Backbone interact. energy: 0.270 local terms energy: -349.694832 where: bonds (distance) C4'-P energy: -67.068 bonds (distance) P-C4' energy: -61.674 flat angles C4'-P-C4' energy: -76.390 flat angles P-C4'-P energy: -54.130 tors. eta vs tors. theta energy: -90.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -901.675901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.675901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.675901 (E_RNA) where: Base-Base interactions energy: -603.077 where: short stacking energy: -282.694 Base-Backbone interact. energy: -1.495 local terms energy: -297.103879 where: bonds (distance) C4'-P energy: -54.266 bonds (distance) P-C4' energy: -62.856 flat angles C4'-P-C4' energy: -63.998 flat angles P-C4'-P energy: -43.626 tors. eta vs tors. theta energy: -72.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -873.375660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.375660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.375660 (E_RNA) where: Base-Base interactions energy: -575.422 where: short stacking energy: -265.374 Base-Backbone interact. energy: 4.594 local terms energy: -302.547568 where: bonds (distance) C4'-P energy: -66.969 bonds (distance) P-C4' energy: -63.534 flat angles C4'-P-C4' energy: -61.768 flat angles P-C4'-P energy: -42.233 tors. eta vs tors. theta energy: -68.044 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: 6 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -706.701833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.701833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.701833 (E_RNA) where: Base-Base interactions energy: -428.595 where: short stacking energy: -229.194 Base-Backbone interact. energy: -1.413 local terms energy: -276.693242 where: bonds (distance) C4'-P energy: -58.293 bonds (distance) P-C4' energy: -65.379 flat angles C4'-P-C4' energy: -61.546 flat angles P-C4'-P energy: -45.853 tors. eta vs tors. theta energy: -45.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -566.480712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.480712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.480712 (E_RNA) where: Base-Base interactions energy: -309.462 where: short stacking energy: -182.765 Base-Backbone interact. energy: -0.590 local terms energy: -256.428072 where: bonds (distance) C4'-P energy: -65.146 bonds (distance) P-C4' energy: -68.681 flat angles C4'-P-C4' energy: -51.842 flat angles P-C4'-P energy: -29.755 tors. eta vs tors. theta energy: -41.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -372.607962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.607962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.607962 (E_RNA) where: Base-Base interactions energy: -172.708 where: short stacking energy: -120.550 Base-Backbone interact. energy: 2.240 local terms energy: -202.140830 where: bonds (distance) C4'-P energy: -43.513 bonds (distance) P-C4' energy: -60.482 flat angles C4'-P-C4' energy: -53.641 flat angles P-C4'-P energy: -34.065 tors. eta vs tors. theta energy: -10.439 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: 10 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -292.737247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.737247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.737247 (E_RNA) where: Base-Base interactions energy: -95.781 where: short stacking energy: -74.690 Base-Backbone interact. energy: -0.203 local terms energy: -196.753019 where: bonds (distance) C4'-P energy: -60.213 bonds (distance) P-C4' energy: -67.452 flat angles C4'-P-C4' energy: -62.580 flat angles P-C4'-P energy: -23.772 tors. eta vs tors. theta energy: 17.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1173.763278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.763278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.763278 (E_RNA) where: Base-Base interactions energy: -801.302 where: short stacking energy: -379.499 Base-Backbone interact. energy: -1.669 local terms energy: -370.792136 where: bonds (distance) C4'-P energy: -58.877 bonds (distance) P-C4' energy: -64.783 flat angles C4'-P-C4' energy: -84.375 flat angles P-C4'-P energy: -50.828 tors. eta vs tors. theta energy: -111.930 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: 2, replica: 8 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1118.983286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.983286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.983286 (E_RNA) where: Base-Base interactions energy: -762.114 where: short stacking energy: -348.413 Base-Backbone interact. energy: 0.251 local terms energy: -357.120013 where: bonds (distance) C4'-P energy: -68.806 bonds (distance) P-C4' energy: -62.140 flat angles C4'-P-C4' energy: -75.006 flat angles P-C4'-P energy: -53.894 tors. eta vs tors. theta energy: -97.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1037.176349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.176349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.176349 (E_RNA) where: Base-Base interactions energy: -707.106 where: short stacking energy: -327.689 Base-Backbone interact. energy: -0.521 local terms energy: -329.548896 where: bonds (distance) C4'-P energy: -59.704 bonds (distance) P-C4' energy: -67.635 flat angles C4'-P-C4' energy: -61.885 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -89.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1003.016435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.016435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.016435 (E_RNA) where: Base-Base interactions energy: -654.741 where: short stacking energy: -322.232 Base-Backbone interact. energy: -2.701 local terms energy: -345.574145 where: bonds (distance) C4'-P energy: -60.495 bonds (distance) P-C4' energy: -66.166 flat angles C4'-P-C4' energy: -70.587 flat angles P-C4'-P energy: -55.919 tors. eta vs tors. theta energy: -92.408 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: 5, replica: 5 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -873.792545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.792545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.792545 (E_RNA) where: Base-Base interactions energy: -578.155 where: short stacking energy: -253.942 Base-Backbone interact. energy: -0.217 local terms energy: -295.420658 where: bonds (distance) C4'-P energy: -59.192 bonds (distance) P-C4' energy: -58.065 flat angles C4'-P-C4' energy: -69.038 flat angles P-C4'-P energy: -37.948 tors. eta vs tors. theta energy: -71.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -867.913136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.913136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.913136 (E_RNA) where: Base-Base interactions energy: -591.916 where: short stacking energy: -259.744 Base-Backbone interact. energy: -0.191 local terms energy: -275.806600 where: bonds (distance) C4'-P energy: -54.785 bonds (distance) P-C4' energy: -58.866 flat angles C4'-P-C4' energy: -54.198 flat angles P-C4'-P energy: -40.201 tors. eta vs tors. theta energy: -67.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -742.105507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.105507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.105507 (E_RNA) where: Base-Base interactions energy: -477.331 where: short stacking energy: -217.024 Base-Backbone interact. energy: -0.840 local terms energy: -263.934403 where: bonds (distance) C4'-P energy: -56.908 bonds (distance) P-C4' energy: -73.003 flat angles C4'-P-C4' energy: -54.126 flat angles P-C4'-P energy: -34.688 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: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -596.891909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.891909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.891909 (E_RNA) where: Base-Base interactions energy: -354.313 where: short stacking energy: -186.867 Base-Backbone interact. energy: -0.197 local terms energy: -242.381205 where: bonds (distance) C4'-P energy: -68.067 bonds (distance) P-C4' energy: -62.921 flat angles C4'-P-C4' energy: -50.691 flat angles P-C4'-P energy: -32.747 tors. eta vs tors. theta energy: -27.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -319.354424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.354424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.354424 (E_RNA) where: Base-Base interactions energy: -123.293 where: short stacking energy: -81.081 Base-Backbone interact. energy: 0.477 local terms energy: -196.538259 where: bonds (distance) C4'-P energy: -46.226 bonds (distance) P-C4' energy: -72.600 flat angles C4'-P-C4' energy: -52.009 flat angles P-C4'-P energy: -36.613 tors. eta vs tors. theta energy: 10.909 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: 10, replica: 10 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -272.469235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.469235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.469235 (E_RNA) where: Base-Base interactions energy: -77.089 where: short stacking energy: -72.450 Base-Backbone interact. energy: 0.938 local terms energy: -196.317601 where: bonds (distance) C4'-P energy: -54.973 bonds (distance) P-C4' energy: -62.272 flat angles C4'-P-C4' energy: -47.718 flat angles P-C4'-P energy: -29.814 tors. eta vs tors. theta energy: -1.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1161.158069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.158069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.158069 (E_RNA) where: Base-Base interactions energy: -790.365 where: short stacking energy: -354.640 Base-Backbone interact. energy: -1.194 local terms energy: -369.599464 where: bonds (distance) C4'-P energy: -69.832 bonds (distance) P-C4' energy: -66.591 flat angles C4'-P-C4' energy: -77.971 flat angles P-C4'-P energy: -51.041 tors. eta vs tors. theta energy: -104.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1128.965822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.965822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.965822 (E_RNA) where: Base-Base interactions energy: -765.887 where: short stacking energy: -341.454 Base-Backbone interact. energy: -1.863 local terms energy: -361.214993 where: bonds (distance) C4'-P energy: -67.300 bonds (distance) P-C4' energy: -63.612 flat angles C4'-P-C4' energy: -72.554 flat angles P-C4'-P energy: -52.199 tors. eta vs tors. theta energy: -105.550 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: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -999.582808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.582808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.582808 (E_RNA) where: Base-Base interactions energy: -658.999 where: short stacking energy: -295.946 Base-Backbone interact. energy: 2.160 local terms energy: -342.743867 where: bonds (distance) C4'-P energy: -72.384 bonds (distance) P-C4' energy: -60.875 flat angles C4'-P-C4' energy: -65.634 flat angles P-C4'-P energy: -56.197 tors. eta vs tors. theta energy: -87.653 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: 4 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1011.183018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.183018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.183018 (E_RNA) where: Base-Base interactions energy: -669.280 where: short stacking energy: -300.080 Base-Backbone interact. energy: -1.453 local terms energy: -340.450381 where: bonds (distance) C4'-P energy: -70.341 bonds (distance) P-C4' energy: -65.852 flat angles C4'-P-C4' energy: -68.331 flat angles P-C4'-P energy: -53.974 tors. eta vs tors. theta energy: -81.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -880.307535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.307535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.307535 (E_RNA) where: Base-Base interactions energy: -600.997 where: short stacking energy: -262.286 Base-Backbone interact. energy: -1.074 local terms energy: -278.236113 where: bonds (distance) C4'-P energy: -51.034 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -68.267 flat angles P-C4'-P energy: -33.103 tors. eta vs tors. theta energy: -63.103 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: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -866.863050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.863050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.863050 (E_RNA) where: Base-Base interactions energy: -556.215 where: short stacking energy: -255.159 Base-Backbone interact. energy: -2.136 local terms energy: -308.512730 where: bonds (distance) C4'-P energy: -60.064 bonds (distance) P-C4' energy: -59.504 flat angles C4'-P-C4' energy: -74.603 flat angles P-C4'-P energy: -45.636 tors. eta vs tors. theta energy: -68.706 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: 6 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -719.084359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.084359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.084359 (E_RNA) where: Base-Base interactions energy: -441.885 where: short stacking energy: -223.244 Base-Backbone interact. energy: 0.099 local terms energy: -277.298399 where: bonds (distance) C4'-P energy: -55.695 bonds (distance) P-C4' energy: -61.531 flat angles C4'-P-C4' energy: -66.347 flat angles P-C4'-P energy: -38.576 tors. eta vs tors. theta energy: -55.149 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: 2 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -595.414495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.414495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.414495 (E_RNA) where: Base-Base interactions energy: -354.015 where: short stacking energy: -172.525 Base-Backbone interact. energy: -0.819 local terms energy: -240.579747 where: bonds (distance) C4'-P energy: -58.743 bonds (distance) P-C4' energy: -52.397 flat angles C4'-P-C4' energy: -53.445 flat angles P-C4'-P energy: -45.792 tors. eta vs tors. theta energy: -30.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -335.377733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.377733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.377733 (E_RNA) where: Base-Base interactions energy: -118.155 where: short stacking energy: -109.465 Base-Backbone interact. energy: -0.356 local terms energy: -216.866789 where: bonds (distance) C4'-P energy: -54.693 bonds (distance) P-C4' energy: -55.552 flat angles C4'-P-C4' energy: -65.271 flat angles P-C4'-P energy: -31.538 tors. eta vs tors. theta energy: -9.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -287.719687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.719687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.719687 (E_RNA) where: Base-Base interactions energy: -98.490 where: short stacking energy: -76.491 Base-Backbone interact. energy: 4.980 local terms energy: -194.209817 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -67.860 flat angles C4'-P-C4' energy: -45.350 flat angles P-C4'-P energy: -29.602 tors. eta vs tors. theta energy: 13.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1178.383784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.383784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.383784 (E_RNA) where: Base-Base interactions energy: -791.218 where: short stacking energy: -367.672 Base-Backbone interact. energy: -0.723 local terms energy: -386.443295 where: bonds (distance) C4'-P energy: -63.861 bonds (distance) P-C4' energy: -80.792 flat angles C4'-P-C4' energy: -83.064 flat angles P-C4'-P energy: -54.718 tors. eta vs tors. theta energy: -104.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1138.971568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.971568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.971568 (E_RNA) where: Base-Base interactions energy: -756.703 where: short stacking energy: -354.755 Base-Backbone interact. energy: -1.263 local terms energy: -381.005947 where: bonds (distance) C4'-P energy: -74.646 bonds (distance) P-C4' energy: -71.765 flat angles C4'-P-C4' energy: -80.827 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -105.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1025.776191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.776191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.776191 (E_RNA) where: Base-Base interactions energy: -672.052 where: short stacking energy: -317.851 Base-Backbone interact. energy: -0.280 local terms energy: -353.444474 where: bonds (distance) C4'-P energy: -70.910 bonds (distance) P-C4' energy: -66.856 flat angles C4'-P-C4' energy: -76.024 flat angles P-C4'-P energy: -50.728 tors. eta vs tors. theta energy: -88.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1004.477713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.477713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.477713 (E_RNA) where: Base-Base interactions energy: -677.235 where: short stacking energy: -316.039 Base-Backbone interact. energy: -1.382 local terms energy: -325.859962 where: bonds (distance) C4'-P energy: -64.459 bonds (distance) P-C4' energy: -58.786 flat angles C4'-P-C4' energy: -66.595 flat angles P-C4'-P energy: -49.794 tors. eta vs tors. theta energy: -86.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -936.198623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.198623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.198623 (E_RNA) where: Base-Base interactions energy: -627.666 where: short stacking energy: -297.807 Base-Backbone interact. energy: -1.866 local terms energy: -306.666322 where: bonds (distance) C4'-P energy: -66.627 bonds (distance) P-C4' energy: -48.504 flat angles C4'-P-C4' energy: -69.968 flat angles P-C4'-P energy: -39.194 tors. eta vs tors. theta energy: -82.374 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: 6, replica: 3 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -868.466695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.466695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.466695 (E_RNA) where: Base-Base interactions energy: -564.344 where: short stacking energy: -282.747 Base-Backbone interact. energy: -2.145 local terms energy: -301.977573 where: bonds (distance) C4'-P energy: -53.836 bonds (distance) P-C4' energy: -58.924 flat angles C4'-P-C4' energy: -66.340 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: -76.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -659.768897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.768897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.768897 (E_RNA) where: Base-Base interactions energy: -410.699 where: short stacking energy: -197.239 Base-Backbone interact. energy: -1.236 local terms energy: -247.834130 where: bonds (distance) C4'-P energy: -57.224 bonds (distance) P-C4' energy: -58.574 flat angles C4'-P-C4' energy: -50.061 flat angles P-C4'-P energy: -46.179 tors. eta vs tors. theta energy: -35.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -584.421566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.421566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.421566 (E_RNA) where: Base-Base interactions energy: -348.395 where: short stacking energy: -181.679 Base-Backbone interact. energy: -0.342 local terms energy: -235.684546 where: bonds (distance) C4'-P energy: -42.449 bonds (distance) P-C4' energy: -63.082 flat angles C4'-P-C4' energy: -53.237 flat angles P-C4'-P energy: -44.186 tors. eta vs tors. theta energy: -32.730 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: 7 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -294.344618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.344618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.344618 (E_RNA) where: Base-Base interactions energy: -103.422 where: short stacking energy: -65.694 Base-Backbone interact. energy: -0.889 local terms energy: -190.033869 where: bonds (distance) C4'-P energy: -60.782 bonds (distance) P-C4' energy: -70.218 flat angles C4'-P-C4' energy: -40.918 flat angles P-C4'-P energy: -29.345 tors. eta vs tors. theta energy: 11.228 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: 10, replica: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -282.161456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.161456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.161456 (E_RNA) where: Base-Base interactions energy: -102.091 where: short stacking energy: -83.098 Base-Backbone interact. energy: -1.681 local terms energy: -178.388706 where: bonds (distance) C4'-P energy: -56.372 bonds (distance) P-C4' energy: -54.111 flat angles C4'-P-C4' energy: -47.925 flat angles P-C4'-P energy: -25.840 tors. eta vs tors. theta energy: 5.859 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: 1 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1170.797805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.797805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.797805 (E_RNA) where: Base-Base interactions energy: -783.035 where: short stacking energy: -366.618 Base-Backbone interact. energy: 0.059 local terms energy: -387.821617 where: bonds (distance) C4'-P energy: -75.564 bonds (distance) P-C4' energy: -73.368 flat angles C4'-P-C4' energy: -76.181 flat angles P-C4'-P energy: -56.292 tors. eta vs tors. theta energy: -106.416 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: 8 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1131.191339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.191339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.191339 (E_RNA) where: Base-Base interactions energy: -764.165 where: short stacking energy: -365.418 Base-Backbone interact. energy: -1.078 local terms energy: -365.949040 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -62.340 flat angles C4'-P-C4' energy: -80.980 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -107.264 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: 3, replica: 9 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1019.169788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.169788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.169788 (E_RNA) where: Base-Base interactions energy: -674.084 where: short stacking energy: -337.987 Base-Backbone interact. energy: -1.692 local terms energy: -343.394197 where: bonds (distance) C4'-P energy: -69.275 bonds (distance) P-C4' energy: -64.187 flat angles C4'-P-C4' energy: -70.044 flat angles P-C4'-P energy: -46.605 tors. eta vs tors. theta energy: -93.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1010.530459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.530459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.530459 (E_RNA) where: Base-Base interactions energy: -674.358 where: short stacking energy: -302.188 Base-Backbone interact. energy: -0.660 local terms energy: -335.512668 where: bonds (distance) C4'-P energy: -57.413 bonds (distance) P-C4' energy: -68.749 flat angles C4'-P-C4' energy: -69.962 flat angles P-C4'-P energy: -51.433 tors. eta vs tors. theta energy: -87.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -907.816527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.816527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.816527 (E_RNA) where: Base-Base interactions energy: -578.662 where: short stacking energy: -271.628 Base-Backbone interact. energy: 0.646 local terms energy: -329.800046 where: bonds (distance) C4'-P energy: -63.637 bonds (distance) P-C4' energy: -69.483 flat angles C4'-P-C4' energy: -71.722 flat angles P-C4'-P energy: -45.926 tors. eta vs tors. theta energy: -79.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -866.759987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.759987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.759987 (E_RNA) where: Base-Base interactions energy: -549.112 where: short stacking energy: -249.507 Base-Backbone interact. energy: -1.298 local terms energy: -316.350281 where: bonds (distance) C4'-P energy: -70.101 bonds (distance) P-C4' energy: -54.311 flat angles C4'-P-C4' energy: -74.359 flat angles P-C4'-P energy: -48.916 tors. eta vs tors. theta energy: -68.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -680.042750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.042750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.042750 (E_RNA) where: Base-Base interactions energy: -414.253 where: short stacking energy: -204.016 Base-Backbone interact. energy: 1.690 local terms energy: -267.479779 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -70.288 flat angles C4'-P-C4' energy: -57.782 flat angles P-C4'-P energy: -36.909 tors. eta vs tors. theta energy: -40.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -570.622547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.622547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.622547 (E_RNA) where: Base-Base interactions energy: -330.522 where: short stacking energy: -173.188 Base-Backbone interact. energy: 3.819 local terms energy: -243.919135 where: bonds (distance) C4'-P energy: -50.870 bonds (distance) P-C4' energy: -69.223 flat angles C4'-P-C4' energy: -54.479 flat angles P-C4'-P energy: -29.925 tors. eta vs tors. theta energy: -39.423 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: 7 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -306.774939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.774939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.774939 (E_RNA) where: Base-Base interactions energy: -99.815 where: short stacking energy: -92.831 Base-Backbone interact. energy: 1.777 local terms energy: -208.737375 where: bonds (distance) C4'-P energy: -51.137 bonds (distance) P-C4' energy: -57.633 flat angles C4'-P-C4' energy: -63.812 flat angles P-C4'-P energy: -34.980 tors. eta vs tors. theta energy: -1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -281.404585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.404585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.404585 (E_RNA) where: Base-Base interactions energy: -99.356 where: short stacking energy: -84.477 Base-Backbone interact. energy: 0.724 local terms energy: -182.773105 where: bonds (distance) C4'-P energy: -46.089 bonds (distance) P-C4' energy: -50.681 flat angles C4'-P-C4' energy: -58.736 flat angles P-C4'-P energy: -32.843 tors. eta vs tors. theta energy: 5.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1161.048510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.048510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.048510 (E_RNA) where: Base-Base interactions energy: -785.923 where: short stacking energy: -362.445 Base-Backbone interact. energy: 0.347 local terms energy: -375.472761 where: bonds (distance) C4'-P energy: -66.737 bonds (distance) P-C4' energy: -75.901 flat angles C4'-P-C4' energy: -75.342 flat angles P-C4'-P energy: -54.901 tors. eta vs tors. theta energy: -102.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1138.856153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.856153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.856153 (E_RNA) where: Base-Base interactions energy: -761.256 where: short stacking energy: -351.142 Base-Backbone interact. energy: -0.304 local terms energy: -377.296608 where: bonds (distance) C4'-P energy: -73.385 bonds (distance) P-C4' energy: -69.622 flat angles C4'-P-C4' energy: -73.613 flat angles P-C4'-P energy: -60.092 tors. eta vs tors. theta energy: -100.584 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: 9 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1033.296911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.296911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.296911 (E_RNA) where: Base-Base interactions energy: -683.188 where: short stacking energy: -341.216 Base-Backbone interact. energy: 0.118 local terms energy: -350.226855 where: bonds (distance) C4'-P energy: -59.771 bonds (distance) P-C4' energy: -61.369 flat angles C4'-P-C4' energy: -76.816 flat angles P-C4'-P energy: -48.963 tors. eta vs tors. theta energy: -103.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1014.655217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.655217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.655217 (E_RNA) where: Base-Base interactions energy: -668.384 where: short stacking energy: -329.004 Base-Backbone interact. energy: -0.498 local terms energy: -345.772881 where: bonds (distance) C4'-P energy: -46.354 bonds (distance) P-C4' energy: -73.694 flat angles C4'-P-C4' energy: -72.253 flat angles P-C4'-P energy: -58.447 tors. eta vs tors. theta energy: -95.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -922.068456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.068456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.068456 (E_RNA) where: Base-Base interactions energy: -613.088 where: short stacking energy: -293.396 Base-Backbone interact. energy: -2.107 local terms energy: -306.874102 where: bonds (distance) C4'-P energy: -63.998 bonds (distance) P-C4' energy: -61.283 flat angles C4'-P-C4' energy: -73.283 flat angles P-C4'-P energy: -39.667 tors. eta vs tors. theta energy: -68.643 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: 3 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -904.891076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.891076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.891076 (E_RNA) where: Base-Base interactions energy: -605.477 where: short stacking energy: -256.280 Base-Backbone interact. energy: -1.136 local terms energy: -298.278038 where: bonds (distance) C4'-P energy: -62.971 bonds (distance) P-C4' energy: -58.393 flat angles C4'-P-C4' energy: -66.775 flat angles P-C4'-P energy: -42.247 tors. eta vs tors. theta energy: -67.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -670.854047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.854047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.854047 (E_RNA) where: Base-Base interactions energy: -404.953 where: short stacking energy: -219.582 Base-Backbone interact. energy: 0.183 local terms energy: -266.083877 where: bonds (distance) C4'-P energy: -56.573 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -54.833 flat angles P-C4'-P energy: -38.399 tors. eta vs tors. theta energy: -53.593 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: 2 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -598.239770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.239770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.239770 (E_RNA) where: Base-Base interactions energy: -371.344 where: short stacking energy: -194.754 Base-Backbone interact. energy: -0.924 local terms energy: -225.971702 where: bonds (distance) C4'-P energy: -41.018 bonds (distance) P-C4' energy: -53.427 flat angles C4'-P-C4' energy: -58.138 flat angles P-C4'-P energy: -39.256 tors. eta vs tors. theta energy: -34.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -299.542519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.542519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.542519 (E_RNA) where: Base-Base interactions energy: -110.562 where: short stacking energy: -99.381 Base-Backbone interact. energy: 0.937 local terms energy: -189.917170 where: bonds (distance) C4'-P energy: -42.258 bonds (distance) P-C4' energy: -65.416 flat angles C4'-P-C4' energy: -65.943 flat angles P-C4'-P energy: -24.335 tors. eta vs tors. theta energy: 8.035 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: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -364.880099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.880099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.880099 (E_RNA) where: Base-Base interactions energy: -152.590 where: short stacking energy: -95.673 Base-Backbone interact. energy: -1.476 local terms energy: -210.814921 where: bonds (distance) C4'-P energy: -60.283 bonds (distance) P-C4' energy: -61.312 flat angles C4'-P-C4' energy: -56.884 flat angles P-C4'-P energy: -35.006 tors. eta vs tors. theta energy: 2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1163.012767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.012767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.012767 (E_RNA) where: Base-Base interactions energy: -777.635 where: short stacking energy: -372.193 Base-Backbone interact. energy: -0.274 local terms energy: -385.103506 where: bonds (distance) C4'-P energy: -74.649 bonds (distance) P-C4' energy: -69.923 flat angles C4'-P-C4' energy: -79.204 flat angles P-C4'-P energy: -54.270 tors. eta vs tors. theta energy: -107.058 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: 8 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1132.670669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.670669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.670669 (E_RNA) where: Base-Base interactions energy: -768.397 where: short stacking energy: -361.989 Base-Backbone interact. energy: -1.169 local terms energy: -363.104795 where: bonds (distance) C4'-P energy: -57.474 bonds (distance) P-C4' energy: -61.963 flat angles C4'-P-C4' energy: -83.107 flat angles P-C4'-P energy: -55.204 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: 3, replica: 4 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1035.862597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.862597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.862597 (E_RNA) where: Base-Base interactions energy: -693.856 where: short stacking energy: -314.945 Base-Backbone interact. energy: 1.835 local terms energy: -343.841389 where: bonds (distance) C4'-P energy: -67.864 bonds (distance) P-C4' energy: -69.508 flat angles C4'-P-C4' energy: -69.342 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: -84.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -994.697720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.697720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.697720 (E_RNA) where: Base-Base interactions energy: -657.008 where: short stacking energy: -316.639 Base-Backbone interact. energy: 1.129 local terms energy: -338.819145 where: bonds (distance) C4'-P energy: -66.181 bonds (distance) P-C4' energy: -70.816 flat angles C4'-P-C4' energy: -69.939 flat angles P-C4'-P energy: -43.882 tors. eta vs tors. theta energy: -88.002 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: 496 Temperature: 1.100000 Total energy: -915.062845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.062845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.062845 (E_RNA) where: Base-Base interactions energy: -585.859 where: short stacking energy: -283.529 Base-Backbone interact. energy: -1.876 local terms energy: -327.327894 where: bonds (distance) C4'-P energy: -63.144 bonds (distance) P-C4' energy: -65.124 flat angles C4'-P-C4' energy: -72.344 flat angles P-C4'-P energy: -42.065 tors. eta vs tors. theta energy: -84.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -916.950051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.950051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.950051 (E_RNA) where: Base-Base interactions energy: -609.691 where: short stacking energy: -294.429 Base-Backbone interact. energy: -1.478 local terms energy: -305.781073 where: bonds (distance) C4'-P energy: -54.003 bonds (distance) P-C4' energy: -57.925 flat angles C4'-P-C4' energy: -70.103 flat angles P-C4'-P energy: -46.369 tors. eta vs tors. theta energy: -77.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -624.957512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.957512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.957512 (E_RNA) where: Base-Base interactions energy: -374.382 where: short stacking energy: -196.838 Base-Backbone interact. energy: 0.339 local terms energy: -250.914578 where: bonds (distance) C4'-P energy: -66.620 bonds (distance) P-C4' energy: -53.074 flat angles C4'-P-C4' energy: -52.916 flat angles P-C4'-P energy: -31.976 tors. eta vs tors. theta energy: -46.329 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: 6 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -589.500491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.500491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.500491 (E_RNA) where: Base-Base interactions energy: -337.495 where: short stacking energy: -181.123 Base-Backbone interact. energy: -1.019 local terms energy: -250.986919 where: bonds (distance) C4'-P energy: -56.050 bonds (distance) P-C4' energy: -62.881 flat angles C4'-P-C4' energy: -58.470 flat angles P-C4'-P energy: -39.632 tors. eta vs tors. theta energy: -33.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -420.854947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.854947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.854947 (E_RNA) where: Base-Base interactions energy: -244.572 where: short stacking energy: -133.733 Base-Backbone interact. energy: 0.072 local terms energy: -176.354430 where: bonds (distance) C4'-P energy: -37.093 bonds (distance) P-C4' energy: -61.037 flat angles C4'-P-C4' energy: -34.329 flat angles P-C4'-P energy: -34.323 tors. eta vs tors. theta energy: -9.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -291.976455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.976455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.976455 (E_RNA) where: Base-Base interactions energy: -103.706 where: short stacking energy: -78.153 Base-Backbone interact. energy: 1.839 local terms energy: -190.109440 where: bonds (distance) C4'-P energy: -54.477 bonds (distance) P-C4' energy: -65.764 flat angles C4'-P-C4' energy: -54.901 flat angles P-C4'-P energy: -14.950 tors. eta vs tors. theta energy: -0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1173.235389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.235389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.235389 (E_RNA) where: Base-Base interactions energy: -794.864 where: short stacking energy: -362.181 Base-Backbone interact. energy: 0.262 local terms energy: -378.633504 where: bonds (distance) C4'-P energy: -66.748 bonds (distance) P-C4' energy: -74.433 flat angles C4'-P-C4' energy: -78.317 flat angles P-C4'-P energy: -51.790 tors. eta vs tors. theta energy: -107.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1124.278771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.278771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.278771 (E_RNA) where: Base-Base interactions energy: -757.481 where: short stacking energy: -353.570 Base-Backbone interact. energy: -2.643 local terms energy: -364.154702 where: bonds (distance) C4'-P energy: -73.447 bonds (distance) P-C4' energy: -62.900 flat angles C4'-P-C4' energy: -68.416 flat angles P-C4'-P energy: -50.475 tors. eta vs tors. theta energy: -108.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1051.542611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.542611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.542611 (E_RNA) where: Base-Base interactions energy: -706.221 where: short stacking energy: -334.130 Base-Backbone interact. energy: -0.249 local terms energy: -345.072668 where: bonds (distance) C4'-P energy: -64.545 bonds (distance) P-C4' energy: -66.093 flat angles C4'-P-C4' energy: -71.160 flat angles P-C4'-P energy: -51.824 tors. eta vs tors. theta energy: -91.450 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: 9 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1016.696275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.696275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.696275 (E_RNA) where: Base-Base interactions energy: -658.085 where: short stacking energy: -332.638 Base-Backbone interact. energy: -2.096 local terms energy: -356.515994 where: bonds (distance) C4'-P energy: -71.250 bonds (distance) P-C4' energy: -63.704 flat angles C4'-P-C4' energy: -72.978 flat angles P-C4'-P energy: -51.571 tors. eta vs tors. theta energy: -97.013 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: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -915.525463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.525463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.525463 (E_RNA) where: Base-Base interactions energy: -613.095 where: short stacking energy: -286.337 Base-Backbone interact. energy: -2.095 local terms energy: -300.335019 where: bonds (distance) C4'-P energy: -56.926 bonds (distance) P-C4' energy: -61.286 flat angles C4'-P-C4' energy: -67.243 flat angles P-C4'-P energy: -45.398 tors. eta vs tors. theta energy: -69.482 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: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -895.155090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.155090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.155090 (E_RNA) where: Base-Base interactions energy: -586.678 where: short stacking energy: -267.306 Base-Backbone interact. energy: -1.135 local terms energy: -307.341965 where: bonds (distance) C4'-P energy: -64.997 bonds (distance) P-C4' energy: -60.862 flat angles C4'-P-C4' energy: -70.262 flat angles P-C4'-P energy: -35.030 tors. eta vs tors. theta energy: -76.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -629.888239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.888239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.888239 (E_RNA) where: Base-Base interactions energy: -407.904 where: short stacking energy: -192.418 Base-Backbone interact. energy: -0.614 local terms energy: -221.370118 where: bonds (distance) C4'-P energy: -58.498 bonds (distance) P-C4' energy: -60.500 flat angles C4'-P-C4' energy: -49.142 flat angles P-C4'-P energy: -26.617 tors. eta vs tors. theta energy: -26.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -599.589822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.589822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.589822 (E_RNA) where: Base-Base interactions energy: -351.390 where: short stacking energy: -192.967 Base-Backbone interact. energy: 0.463 local terms energy: -248.662502 where: bonds (distance) C4'-P energy: -62.060 bonds (distance) P-C4' energy: -62.912 flat angles C4'-P-C4' energy: -62.063 flat angles P-C4'-P energy: -39.223 tors. eta vs tors. theta energy: -22.404 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: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -444.658630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.658630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.658630 (E_RNA) where: Base-Base interactions energy: -215.224 where: short stacking energy: -128.538 Base-Backbone interact. energy: -0.469 local terms energy: -228.965578 where: bonds (distance) C4'-P energy: -60.874 bonds (distance) P-C4' energy: -73.841 flat angles C4'-P-C4' energy: -42.892 flat angles P-C4'-P energy: -34.968 tors. eta vs tors. theta energy: -16.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -300.711018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.711018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.711018 (E_RNA) where: Base-Base interactions energy: -95.901 where: short stacking energy: -84.606 Base-Backbone interact. energy: 2.728 local terms energy: -207.538359 where: bonds (distance) C4'-P energy: -61.535 bonds (distance) P-C4' energy: -61.368 flat angles C4'-P-C4' energy: -58.166 flat angles P-C4'-P energy: -33.026 tors. eta vs tors. theta energy: 6.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1158.773609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.773609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.773609 (E_RNA) where: Base-Base interactions energy: -774.491 where: short stacking energy: -372.336 Base-Backbone interact. energy: -1.330 local terms energy: -382.952532 where: bonds (distance) C4'-P energy: -71.951 bonds (distance) P-C4' energy: -62.958 flat angles C4'-P-C4' energy: -84.242 flat angles P-C4'-P energy: -54.214 tors. eta vs tors. theta energy: -109.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1145.708330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.708330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.708330 (E_RNA) where: Base-Base interactions energy: -772.590 where: short stacking energy: -373.083 Base-Backbone interact. energy: 0.333 local terms energy: -373.451129 where: bonds (distance) C4'-P energy: -63.931 bonds (distance) P-C4' energy: -72.983 flat angles C4'-P-C4' energy: -79.055 flat angles P-C4'-P energy: -51.137 tors. eta vs tors. theta energy: -106.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1073.617682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.617682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.617682 (E_RNA) where: Base-Base interactions energy: -714.319 where: short stacking energy: -340.539 Base-Backbone interact. energy: -0.361 local terms energy: -358.937126 where: bonds (distance) C4'-P energy: -66.850 bonds (distance) P-C4' energy: -66.865 flat angles C4'-P-C4' energy: -73.937 flat angles P-C4'-P energy: -53.440 tors. eta vs tors. theta energy: -97.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -995.047046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.047046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.047046 (E_RNA) where: Base-Base interactions energy: -657.051 where: short stacking energy: -313.560 Base-Backbone interact. energy: 0.565 local terms energy: -338.560359 where: bonds (distance) C4'-P energy: -72.761 bonds (distance) P-C4' energy: -61.587 flat angles C4'-P-C4' energy: -70.320 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -83.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -899.967880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.967880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.967880 (E_RNA) where: Base-Base interactions energy: -593.839 where: short stacking energy: -266.123 Base-Backbone interact. energy: -0.349 local terms energy: -305.780075 where: bonds (distance) C4'-P energy: -64.187 bonds (distance) P-C4' energy: -52.247 flat angles C4'-P-C4' energy: -76.223 flat angles P-C4'-P energy: -43.883 tors. eta vs tors. theta energy: -69.240 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: 3 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -866.610097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.610097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.610097 (E_RNA) where: Base-Base interactions energy: -572.887 where: short stacking energy: -262.312 Base-Backbone interact. energy: -0.295 local terms energy: -293.427689 where: bonds (distance) C4'-P energy: -59.686 bonds (distance) P-C4' energy: -57.790 flat angles C4'-P-C4' energy: -62.144 flat angles P-C4'-P energy: -40.937 tors. eta vs tors. theta energy: -72.870 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: 2 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -693.122014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.122014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.122014 (E_RNA) where: Base-Base interactions energy: -439.427 where: short stacking energy: -216.311 Base-Backbone interact. energy: 2.386 local terms energy: -256.081196 where: bonds (distance) C4'-P energy: -50.412 bonds (distance) P-C4' energy: -60.635 flat angles C4'-P-C4' energy: -60.050 flat angles P-C4'-P energy: -40.989 tors. eta vs tors. theta energy: -43.996 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: 6 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -587.651519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.651519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.651519 (E_RNA) where: Base-Base interactions energy: -344.492 where: short stacking energy: -179.867 Base-Backbone interact. energy: -1.038 local terms energy: -242.120853 where: bonds (distance) C4'-P energy: -60.074 bonds (distance) P-C4' energy: -64.021 flat angles C4'-P-C4' energy: -55.974 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -34.502 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: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -436.098342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.098342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.098342 (E_RNA) where: Base-Base interactions energy: -216.780 where: short stacking energy: -116.263 Base-Backbone interact. energy: -0.296 local terms energy: -219.023004 where: bonds (distance) C4'-P energy: -52.431 bonds (distance) P-C4' energy: -57.175 flat angles C4'-P-C4' energy: -48.455 flat angles P-C4'-P energy: -47.345 tors. eta vs tors. theta energy: -13.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -384.902467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.902467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.902467 (E_RNA) where: Base-Base interactions energy: -186.361 where: short stacking energy: -92.180 Base-Backbone interact. energy: -1.479 local terms energy: -197.062550 where: bonds (distance) C4'-P energy: -54.319 bonds (distance) P-C4' energy: -70.635 flat angles C4'-P-C4' energy: -45.878 flat angles P-C4'-P energy: -33.082 tors. eta vs tors. theta energy: 6.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1167.191804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.191804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.191804 (E_RNA) where: Base-Base interactions energy: -785.969 where: short stacking energy: -369.122 Base-Backbone interact. energy: -1.815 local terms energy: -379.407663 where: bonds (distance) C4'-P energy: -70.735 bonds (distance) P-C4' energy: -74.494 flat angles C4'-P-C4' energy: -76.020 flat angles P-C4'-P energy: -48.437 tors. eta vs tors. theta energy: -109.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1148.638971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.638971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.638971 (E_RNA) where: Base-Base interactions energy: -774.489 where: short stacking energy: -368.046 Base-Backbone interact. energy: -0.834 local terms energy: -373.315397 where: bonds (distance) C4'-P energy: -74.309 bonds (distance) P-C4' energy: -64.284 flat angles C4'-P-C4' energy: -79.031 flat angles P-C4'-P energy: -49.806 tors. eta vs tors. theta energy: -105.884 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: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1082.285082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.285082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.285082 (E_RNA) where: Base-Base interactions energy: -709.510 where: short stacking energy: -327.967 Base-Backbone interact. energy: -0.553 local terms energy: -372.222376 where: bonds (distance) C4'-P energy: -78.974 bonds (distance) P-C4' energy: -66.893 flat angles C4'-P-C4' energy: -77.755 flat angles P-C4'-P energy: -47.444 tors. eta vs tors. theta energy: -101.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1010.279334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.279334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.279334 (E_RNA) where: Base-Base interactions energy: -672.318 where: short stacking energy: -318.643 Base-Backbone interact. energy: -1.082 local terms energy: -336.878942 where: bonds (distance) C4'-P energy: -60.110 bonds (distance) P-C4' energy: -68.791 flat angles C4'-P-C4' energy: -77.268 flat angles P-C4'-P energy: -40.030 tors. eta vs tors. theta energy: -90.679 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: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -906.674809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.674809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.674809 (E_RNA) where: Base-Base interactions energy: -607.685 where: short stacking energy: -280.974 Base-Backbone interact. energy: -0.581 local terms energy: -298.408126 where: bonds (distance) C4'-P energy: -55.734 bonds (distance) P-C4' energy: -64.668 flat angles C4'-P-C4' energy: -70.561 flat angles P-C4'-P energy: -37.233 tors. eta vs tors. theta energy: -70.211 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: 3 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -848.274791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.274791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.274791 (E_RNA) where: Base-Base interactions energy: -551.843 where: short stacking energy: -251.510 Base-Backbone interact. energy: -0.423 local terms energy: -296.008819 where: bonds (distance) C4'-P energy: -52.860 bonds (distance) P-C4' energy: -66.424 flat angles C4'-P-C4' energy: -70.265 flat angles P-C4'-P energy: -38.326 tors. eta vs tors. theta energy: -68.134 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: 2 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -671.975229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.975229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.975229 (E_RNA) where: Base-Base interactions energy: -401.855 where: short stacking energy: -205.119 Base-Backbone interact. energy: 0.121 local terms energy: -270.241399 where: bonds (distance) C4'-P energy: -56.903 bonds (distance) P-C4' energy: -54.405 flat angles C4'-P-C4' energy: -74.553 flat angles P-C4'-P energy: -40.075 tors. eta vs tors. theta energy: -44.305 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: 6 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -587.517384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.517384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.517384 (E_RNA) where: Base-Base interactions energy: -340.034 where: short stacking energy: -187.818 Base-Backbone interact. energy: -0.730 local terms energy: -246.753099 where: bonds (distance) C4'-P energy: -56.633 bonds (distance) P-C4' energy: -63.429 flat angles C4'-P-C4' energy: -52.542 flat angles P-C4'-P energy: -30.755 tors. eta vs tors. theta energy: -43.394 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: 9, replica: 10 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -449.146525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.146525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.146525 (E_RNA) where: Base-Base interactions energy: -233.317 where: short stacking energy: -135.847 Base-Backbone interact. energy: -0.649 local terms energy: -215.180967 where: bonds (distance) C4'-P energy: -57.877 bonds (distance) P-C4' energy: -55.830 flat angles C4'-P-C4' energy: -58.126 flat angles P-C4'-P energy: -27.557 tors. eta vs tors. theta energy: -15.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -359.283515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.283515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.283515 (E_RNA) where: Base-Base interactions energy: -168.518 where: short stacking energy: -124.883 Base-Backbone interact. energy: 3.027 local terms energy: -193.792376 where: bonds (distance) C4'-P energy: -66.692 bonds (distance) P-C4' energy: -54.785 flat angles C4'-P-C4' energy: -34.868 flat angles P-C4'-P energy: -23.849 tors. eta vs tors. theta energy: -13.599 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: 500 Temperature: 0.900000 Total energy: -1171.556552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.556552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.556552 (E_RNA) where: Base-Base interactions energy: -787.653 where: short stacking energy: -372.430 Base-Backbone interact. energy: -0.547 local terms energy: -383.356380 where: bonds (distance) C4'-P energy: -62.797 bonds (distance) P-C4' energy: -77.395 flat angles C4'-P-C4' energy: -79.913 flat angles P-C4'-P energy: -55.758 tors. eta vs tors. theta energy: -107.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1139.232310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.232310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.232310 (E_RNA) where: Base-Base interactions energy: -771.490 where: short stacking energy: -360.574 Base-Backbone interact. energy: -0.712 local terms energy: -367.030641 where: bonds (distance) C4'-P energy: -61.476 bonds (distance) P-C4' energy: -69.742 flat angles C4'-P-C4' energy: -81.123 flat angles P-C4'-P energy: -54.361 tors. eta vs tors. theta energy: -100.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1097.092769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.092769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.092769 (E_RNA) where: Base-Base interactions energy: -743.858 where: short stacking energy: -358.102 Base-Backbone interact. energy: -0.991 local terms energy: -352.243246 where: bonds (distance) C4'-P energy: -53.937 bonds (distance) P-C4' energy: -63.837 flat angles C4'-P-C4' energy: -75.684 flat angles P-C4'-P energy: -58.750 tors. eta vs tors. theta energy: -100.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1054.303441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.303441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.303441 (E_RNA) where: Base-Base interactions energy: -683.980 where: short stacking energy: -346.971 Base-Backbone interact. energy: 0.061 local terms energy: -370.385126 where: bonds (distance) C4'-P energy: -61.187 bonds (distance) P-C4' energy: -71.386 flat angles C4'-P-C4' energy: -84.650 flat angles P-C4'-P energy: -51.002 tors. eta vs tors. theta energy: -102.160 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: 5 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -940.581763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.581763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.581763 (E_RNA) where: Base-Base interactions energy: -631.829 where: short stacking energy: -296.547 Base-Backbone interact. energy: 3.394 local terms energy: -312.146292 where: bonds (distance) C4'-P energy: -61.388 bonds (distance) P-C4' energy: -60.035 flat angles C4'-P-C4' energy: -68.612 flat angles P-C4'-P energy: -49.684 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: 6, replica: 3 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -845.766635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.766635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.766635 (E_RNA) where: Base-Base interactions energy: -568.661 where: short stacking energy: -260.934 Base-Backbone interact. energy: 1.706 local terms energy: -278.811112 where: bonds (distance) C4'-P energy: -49.100 bonds (distance) P-C4' energy: -61.029 flat angles C4'-P-C4' energy: -65.784 flat angles P-C4'-P energy: -40.521 tors. eta vs tors. theta energy: -62.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -667.731935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.731935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.731935 (E_RNA) where: Base-Base interactions energy: -404.226 where: short stacking energy: -197.761 Base-Backbone interact. energy: -0.997 local terms energy: -262.508600 where: bonds (distance) C4'-P energy: -49.412 bonds (distance) P-C4' energy: -59.801 flat angles C4'-P-C4' energy: -69.978 flat angles P-C4'-P energy: -45.424 tors. eta vs tors. theta energy: -37.894 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: 8, replica: 6 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -563.582799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.582799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.582799 (E_RNA) where: Base-Base interactions energy: -319.059 where: short stacking energy: -168.760 Base-Backbone interact. energy: 3.321 local terms energy: -247.845326 where: bonds (distance) C4'-P energy: -52.237 bonds (distance) P-C4' energy: -67.120 flat angles C4'-P-C4' energy: -58.055 flat angles P-C4'-P energy: -33.815 tors. eta vs tors. theta energy: -36.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -473.696604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.696604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.696604 (E_RNA) where: Base-Base interactions energy: -257.708 where: short stacking energy: -149.370 Base-Backbone interact. energy: 2.725 local terms energy: -218.714079 where: bonds (distance) C4'-P energy: -56.732 bonds (distance) P-C4' energy: -49.575 flat angles C4'-P-C4' energy: -50.527 flat angles P-C4'-P energy: -37.376 tors. eta vs tors. theta energy: -24.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -287.960451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.960451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.960451 (E_RNA) where: Base-Base interactions energy: -109.050 where: short stacking energy: -69.647 Base-Backbone interact. energy: -0.661 local terms energy: -178.249340 where: bonds (distance) C4'-P energy: -45.235 bonds (distance) P-C4' energy: -60.985 flat angles C4'-P-C4' energy: -50.194 flat angles P-C4'-P energy: -26.538 tors. eta vs tors. theta energy: 4.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1185.570103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.570103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.570103 (E_RNA) where: Base-Base interactions energy: -799.796 where: short stacking energy: -367.244 Base-Backbone interact. energy: -0.676 local terms energy: -385.097918 where: bonds (distance) C4'-P energy: -68.988 bonds (distance) P-C4' energy: -74.975 flat angles C4'-P-C4' energy: -82.901 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: -110.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1128.295474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.295474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.295474 (E_RNA) where: Base-Base interactions energy: -772.669 where: short stacking energy: -359.481 Base-Backbone interact. energy: -0.277 local terms energy: -355.349568 where: bonds (distance) C4'-P energy: -53.834 bonds (distance) P-C4' energy: -70.777 flat angles C4'-P-C4' energy: -77.181 flat angles P-C4'-P energy: -51.821 tors. eta vs tors. theta energy: -101.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1095.179120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.179120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.179120 (E_RNA) where: Base-Base interactions energy: -716.944 where: short stacking energy: -350.666 Base-Backbone interact. energy: 0.312 local terms energy: -378.547822 where: bonds (distance) C4'-P energy: -69.168 bonds (distance) P-C4' energy: -69.619 flat angles C4'-P-C4' energy: -76.232 flat angles P-C4'-P energy: -58.760 tors. eta vs tors. theta energy: -104.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1026.871769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.871769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.871769 (E_RNA) where: Base-Base interactions energy: -680.134 where: short stacking energy: -338.302 Base-Backbone interact. energy: 1.476 local terms energy: -348.213787 where: bonds (distance) C4'-P energy: -58.997 bonds (distance) P-C4' energy: -61.207 flat angles C4'-P-C4' energy: -79.560 flat angles P-C4'-P energy: -48.023 tors. eta vs tors. theta energy: -100.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -923.512444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.512444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.512444 (E_RNA) where: Base-Base interactions energy: -618.597 where: short stacking energy: -300.598 Base-Backbone interact. energy: -1.883 local terms energy: -303.032482 where: bonds (distance) C4'-P energy: -64.506 bonds (distance) P-C4' energy: -55.511 flat angles C4'-P-C4' energy: -68.411 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: -77.055 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: 3 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -947.957796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.957796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.957796 (E_RNA) where: Base-Base interactions energy: -638.700 where: short stacking energy: -294.339 Base-Backbone interact. energy: -0.651 local terms energy: -308.607141 where: bonds (distance) C4'-P energy: -58.541 bonds (distance) P-C4' energy: -48.248 flat angles C4'-P-C4' energy: -72.402 flat angles P-C4'-P energy: -48.438 tors. eta vs tors. theta energy: -80.979 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: 501 Temperature: 1.200000 Total energy: -664.245134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.245134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.245134 (E_RNA) where: Base-Base interactions energy: -395.331 where: short stacking energy: -207.238 Base-Backbone interact. energy: 1.355 local terms energy: -270.269284 where: bonds (distance) C4'-P energy: -59.751 bonds (distance) P-C4' energy: -78.457 flat angles C4'-P-C4' energy: -62.241 flat angles P-C4'-P energy: -28.244 tors. eta vs tors. theta energy: -41.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -558.064142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.064142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.064142 (E_RNA) where: Base-Base interactions energy: -335.788 where: short stacking energy: -167.375 Base-Backbone interact. energy: -0.976 local terms energy: -221.300235 where: bonds (distance) C4'-P energy: -54.193 bonds (distance) P-C4' energy: -60.145 flat angles C4'-P-C4' energy: -49.413 flat angles P-C4'-P energy: -32.094 tors. eta vs tors. theta energy: -25.455 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: 10 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -460.267919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.267919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.267919 (E_RNA) where: Base-Base interactions energy: -264.684 where: short stacking energy: -161.591 Base-Backbone interact. energy: -0.721 local terms energy: -194.863355 where: bonds (distance) C4'-P energy: -41.111 bonds (distance) P-C4' energy: -50.789 flat angles C4'-P-C4' energy: -43.239 flat angles P-C4'-P energy: -34.900 tors. eta vs tors. theta energy: -24.824 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: 7 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -290.813690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.813690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.813690 (E_RNA) where: Base-Base interactions energy: -95.642 where: short stacking energy: -71.216 Base-Backbone interact. energy: 0.316 local terms energy: -195.487440 where: bonds (distance) C4'-P energy: -50.050 bonds (distance) P-C4' energy: -63.734 flat angles C4'-P-C4' energy: -51.662 flat angles P-C4'-P energy: -29.224 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) replica 1 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 56061289 moves confirmed later: 60547427 all moves confirmed: 116608716 percent of confirmed moves: 14.576090 current total energy: -1114.060257 recalc. total energy: -1114.060257 replica 8 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 61599971 moves confirmed later: 68322183 all moves confirmed: 129922154 percent of confirmed moves: 16.240269 current total energy: -1115.535154 recalc. total energy: -1115.535154 replica 4 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 73516983 moves confirmed later: 83846290 all moves confirmed: 157363273 percent of confirmed moves: 19.670409 current total energy: -1035.460039 recalc. total energy: -1035.460039 replica 9 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 97608038 moves confirmed later: 115781606 all moves confirmed: 213389644 percent of confirmed moves: 26.673706 current total energy: -920.243059 recalc. total energy: -920.243059 replica 3 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 61145015 moves confirmed later: 67258806 all moves confirmed: 128403821 percent of confirmed moves: 16.050478 current total energy: -928.124025 recalc. total energy: -928.124025 replica 5 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 69554832 moves confirmed later: 78513316 all moves confirmed: 148068148 percent of confirmed moves: 18.508519 current total energy: -814.620390 recalc. total energy: -814.620390 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 83869853 moves confirmed later: 97702217 all moves confirmed: 181572070 percent of confirmed moves: 22.696509 current total energy: -509.465280 recalc. total energy: -509.465280 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 99550397 moves confirmed later: 118477498 all moves confirmed: 218027895 percent of confirmed moves: 27.253487 current total energy: -410.271486 recalc. total energy: -410.271486 replica 10 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 127302710 moves confirmed later: 154991334 all moves confirmed: 282294044 percent of confirmed moves: 35.286755 current total energy: -297.716955 recalc. total energy: -297.716955 replica 7 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 117026867 moves confirmed later: 141460549 all moves confirmed: 258487416 percent of confirmed moves: 32.310927 current total energy: -256.522646 recalc. total energy: -256.522646 out arg RESULTS//1/111-b28e74ef_01 Time of doing 8000000 iterations: 14447.088 seconds